N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO — CID 64592998

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(C)=O
InChIInChI=1S/C9H16F3NO/c1-4-8(5-2)13(7(3)14)6-9(10,11)12/h8H,4-6H2,1-3H3
InChIKeyCOWQRSQWCWQVRW-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.59
Rot. Bonds4

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64592998) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64592998
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(C)=O
InChIInChI=1S/C9H16F3NO/c1-4-8(5-2)13(7(3)14)6-9(10,11)12/h8H,4-6H2,1-3H3
InChIKeyCOWQRSQWCWQVRW-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide 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-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 64592998) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(C)=O.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is COWQRSQWCWQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-8(5-2)13(7(3)14)6-9(10,11)12/h8H,4-6H2,1-3H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 211.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).