4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide

C15H25F2NO2 — CID 124568326

IUPAC4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@]1(CNC(=O)C2CCC(F)(F)CC2)CCCC[C@H]1O
InChIInChI=1S/C15H25F2NO2/c1-14(7-3-2-4-12(14)19)10-18-13(20)11-5-8-15(16,17)9-6-11/h11-12,19H,2-10H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyIPXRFQYACXHTOX-OCCSQVGLSA-N
MW289.37 g/mol
LogP2.87
Rot. Bonds3

About 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 124568326) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID124568326
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@]1(CNC(=O)C2CCC(F)(F)CC2)CCCC[C@H]1O
InChIInChI=1S/C15H25F2NO2/c1-14(7-3-2-4-12(14)19)10-18-13(20)11-5-8-15(16,17)9-6-11/h11-12,19H,2-10H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyIPXRFQYACXHTOX-OCCSQVGLSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 96526799
(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 125150294
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124596585
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103970120
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119801909
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide (CID 124568326) is 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide is C[C@@]1(CNC(=O)C2CCC(F)(F)CC2)CCCC[C@H]1O.
What is the InChIKey of 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is IPXRFQYACXHTOX-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H25F2NO2/c1-14(7-3-2-4-12(14)19)10-18-13(20)11-5-8-15(16,17)9-6-11/h11-12,19H,2-10H2,1H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124568326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).