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

C10H17F2NO2 — CID 103513915

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

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

2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (PubChem CID 103513915) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
PubChem CID103513915
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)C(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-7-3-2-4-10(5-7,6-14)13-9(15)8(11)12/h7-8,14H,2-6H2,1H3,(H,13,15)
InChIKeyHDWVUPLPTGKYKE-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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (CID 103513915) is 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is CC1CCCC(CO)(NC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The InChIKey is HDWVUPLPTGKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7-3-2-4-10(5-7,6-14)13-9(15)8(11)12/h7-8,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
2,2-difluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]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-(hydroxymethyl)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 103513915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).