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

C9H15F2NO2 — CID 103513943

IUPAC2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(NCC1CCCC1CO)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-4-6-2-1-3-7(6)5-13/h6-8,13H,1-5H2,(H,12,14)
InChIKeyANJXEJCKUSKYCH-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.78
Rot. Bonds4

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

2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 103513943) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
PubChem CID103513943
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
SMILESO=C(NCC1CCCC1CO)C(F)F
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-4-6-2-1-3-7(6)5-13/h6-8,13H,1-5H2,(H,12,14)
InChIKeyANJXEJCKUSKYCH-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.78
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-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide (CID 103513943) is 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide is O=C(NCC1CCCC1CO)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is ANJXEJCKUSKYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)9(14)12-4-6-2-1-3-7(6)5-13/h6-8,13H,1-5H2,(H,12,14).
What are the key properties of 2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide?
2,2-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 207.22 g/mol, XLogP of 0.78, 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-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 103513943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).