N-(1-cyanobutyl)-3,3,3-trifluoropropanamide

C8H11F3N2O — CID 61121265

IUPACN-(1-cyanobutyl)-3,3,3-trifluoropropanamide
SMILESCCCC(C#N)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-3-6(5-12)13-7(14)4-8(9,10)11/h6H,2-4H2,1H3,(H,13,14)
InChIKeyJVZQBDFMSFJGMT-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.75
Rot. Bonds4

About N-(1-cyanobutyl)-3,3,3-trifluoropropanamide

N-(1-cyanobutyl)-3,3,3-trifluoropropanamide (PubChem CID 61121265) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3,3,3-trifluoropropanamide
PubChem CID61121265
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-(1-cyanobutyl)-3,3,3-trifluoropropanamide
SMILESCCCC(C#N)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-3-6(5-12)13-7(14)4-8(9,10)11/h6H,2-4H2,1H3,(H,13,14)
InChIKeyJVZQBDFMSFJGMT-UHFFFAOYSA-N
XLogP1.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanobutyl)-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-(1-cyanobutyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-cyanobutyl)-3,3,3-trifluoropropanamide (CID 61121265) is N-(1-cyanobutyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-cyanobutyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-cyanobutyl)-3,3,3-trifluoropropanamide is CCCC(C#N)NC(=O)CC(F)(F)F.
What is the InChIKey of N-(1-cyanobutyl)-3,3,3-trifluoropropanamide?
The InChIKey is JVZQBDFMSFJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-3-6(5-12)13-7(14)4-8(9,10)11/h6H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanobutyl)-3,3,3-trifluoropropanamide?
N-(1-cyanobutyl)-3,3,3-trifluoropropanamide has a molecular weight of 208.18 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 61121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).