N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide

C12H21F2NO2 — CID 111430819

IUPACN-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide
SMILESCCCN(CC(F)F)C(=O)CC1(O)CCCC1
InChIInChI=1S/C12H21F2NO2/c1-2-7-15(9-10(13)14)11(16)8-12(17)5-3-4-6-12/h10,17H,2-9H2,1H3
InChIKeyRFQUTCXFUIQUSD-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.19
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide

N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide (PubChem CID 111430819) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide
PubChem CID111430819
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC NameN-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide
SMILESCCCN(CC(F)F)C(=O)CC1(O)CCCC1
InChIInChI=1S/C12H21F2NO2/c1-2-7-15(9-10(13)14)11(16)8-12(17)5-3-4-6-12/h10,17H,2-9H2,1H3
InChIKeyRFQUTCXFUIQUSD-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide 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 N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide (CID 111430819) is N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide is CCCN(CC(F)F)C(=O)CC1(O)CCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The InChIKey is RFQUTCXFUIQUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-7-15(9-10(13)14)11(16)8-12(17)5-3-4-6-12/h10,17H,2-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide?
N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide has a molecular weight of 249.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide is sourced from PubChem (CID 111430819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).