3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

C8H13F2NO2 — CID 130477330

IUPAC3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCO)C1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)2-1-6(5-8)7(13)11-3-4-12/h6,12H,1-5H2,(H,11,13)
InChIKeyPOGLTRCKVMUCBE-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.53
Rot. Bonds3

About 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (PubChem CID 130477330) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
PubChem CID130477330
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCO)C1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)2-1-6(5-8)7(13)11-3-4-12/h6,12H,1-5H2,(H,11,13)
InChIKeyPOGLTRCKVMUCBE-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (CID 130477330) is 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is O=C(NCCO)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The InChIKey is POGLTRCKVMUCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)2-1-6(5-8)7(13)11-3-4-12/h6,12H,1-5H2,(H,11,13).
What are the key properties of 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 130477330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).