N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide

C9H11F3N2O — CID 62962153

IUPACN-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide
SMILESN#CC1CCCC1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-8(15)14-7-3-1-2-6(7)5-13/h6-7H,1-4H2,(H,14,15)
InChIKeyBMHYKHQKCCTXAT-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.75
Rot. Bonds2

About N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide

N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide (PubChem CID 62962153) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide
PubChem CID62962153
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide
SMILESN#CC1CCCC1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-8(15)14-7-3-1-2-6(7)5-13/h6-7H,1-4H2,(H,14,15)
InChIKeyBMHYKHQKCCTXAT-UHFFFAOYSA-N
XLogP1.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide 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-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide (CID 62962153) is N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide is N#CC1CCCC1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
The InChIKey is BMHYKHQKCCTXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)4-8(15)14-7-3-1-2-6(7)5-13/h6-7H,1-4H2,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide?
N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide has a molecular weight of 220.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 62962153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).