3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide

C13H21F2NO2 — CID 114226447

IUPAC3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c14-13(15)7-3-4-9(8-13)12(18)16-10-5-1-2-6-11(10)17/h9-11,17H,1-8H2,(H,16,18)/t9?,10-,11-/m0/s1
InChIKeyVRXAMSNPUOVTGL-DVRYWGNFSA-N
MW261.31 g/mol
LogP2.23
Rot. Bonds2

About 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide

3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide (PubChem CID 114226447) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
PubChem CID114226447
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c14-13(15)7-3-4-9(8-13)12(18)16-10-5-1-2-6-11(10)17/h9-11,17H,1-8H2,(H,16,18)/t9?,10-,11-/m0/s1
InChIKeyVRXAMSNPUOVTGL-DVRYWGNFSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[2-(bromomethyl)cyclohexyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
CID 177192865
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 66007557

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide (CID 114226447) is 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is VRXAMSNPUOVTGL-DVRYWGNFSA-N. The full InChI is InChI=1S/C13H21F2NO2/c14-13(15)7-3-4-9(8-13)12(18)16-10-5-1-2-6-11(10)17/h9-11,17H,1-8H2,(H,16,18)/t9?,10-,11-/m0/s1.
What are the key properties of 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide?
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114226447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).