A1BE8

(1r,3r)-3-[(3-fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol

Created:2024-11-04
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count6
2D diagram of A1BE8

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Chemical Component Summary

Name(1r,3r)-3-[(3-fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol
Systematic Name (OpenEye OEToolkits)3-[(3-fluoranylpyridin-2-yl)amino]-1-methyl-cyclobutan-1-ol
FormulaC10 H13 F N2 O
Molecular Weight196.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC1(O)CC(Nc2ncccc2F)C1
SMILESCACTVS3.385C[C]1(O)C[CH](C1)Nc2ncccc2F
SMILESOpenEye OEToolkits3.1.0.0CC1(CC(C1)Nc2c(cccn2)F)O
Canonical SMILESCACTVS3.385 C[C@@]1(O)C[C@@H](C1)Nc2ncccc2F
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC1(CC(C1)Nc2c(cccn2)F)O
InChIInChI1.06 InChI=1S/C10H13FN2O/c1-10(14)5-7(6-10)13-9-8(11)3-2-4-12-9/h2-4,7,14H,5-6H2,1H3,(H,12,13)/t7-,10+
InChIKeyInChI1.06 URAQAFQZSFUVGH-WKFQBHICSA-N