2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C10H17F2NO2 — CID 103513981

IUPAC2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(NCC1(CO)CCCCC1)C(F)F
InChIInChI=1S/C10H17F2NO2/c11-8(12)9(15)13-6-10(7-14)4-2-1-3-5-10/h8,14H,1-7H2,(H,13,15)
InChIKeyIFLYCEVNHUIIDQ-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds4

About 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 103513981) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID103513981
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(NCC1(CO)CCCCC1)C(F)F
InChIInChI=1S/C10H17F2NO2/c11-8(12)9(15)13-6-10(7-14)4-2-1-3-5-10/h8,14H,1-7H2,(H,13,15)
InChIKeyIFLYCEVNHUIIDQ-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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)cyclohexyl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 103513981) is 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is O=C(NCC1(CO)CCCCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is IFLYCEVNHUIIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-8(12)9(15)13-6-10(7-14)4-2-1-3-5-10/h8,14H,1-7H2,(H,13,15).
What are the key properties of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2,2-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 4 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)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 103513981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).