2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

C10H17F2NO2 — CID 103513938

IUPAC2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)C(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-7-3-2-4-10(15,5-7)6-13-9(14)8(11)12/h7-8,15H,2-6H2,1H3,(H,13,14)
InChIKeyKDHVNVDJZYNFBP-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds3

About 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (PubChem CID 103513938) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
PubChem CID103513938
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)C(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-7-3-2-4-10(15,5-7)6-13-9(14)8(11)12/h7-8,15H,2-6H2,1H3,(H,13,14)
InChIKeyKDHVNVDJZYNFBP-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (CID 103513938) is 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide is CC1CCCC(O)(CNC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The InChIKey is KDHVNVDJZYNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7-3-2-4-10(15,5-7)6-13-9(14)8(11)12/h7-8,15H,2-6H2,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 103513938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).