N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C7H12F3NO — CID 60770830

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H12F3NO/c1-5(2)11(6(3)12)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyUTGYYIGJGLPZSW-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.81
Rot. Bonds2

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60770830) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60770830
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H12F3NO/c1-5(2)11(6(3)12)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyUTGYYIGJGLPZSW-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-propan-2-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

Related Compounds

N,N-Diethyl-2,2,2-trifluoroacetamide
CID 225443
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692
Acetic acid, trifluoro, N,N-dipropyl
CID 524010
N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide
CID 14025461
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N,N-Diethyl-2,2-difluoroacetamide
CID 12557633
N,N-Diethyl-3,3,3-trifluoropropanamide
CID 14383591
N-t-butyl(dimethyl)-N-methyl-trifluoroacetamide
CID 87957890
N-methyl-N-(1-methylethyl)-acetamide
CID 14782182
2,2,2-Trifluoro-N,N-bis(1-methylethyl)acetamide
CID 587652
2-Aminopropane, N,N-bis(trifluoroacetyl)-
CID 91716929

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 60770830) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UTGYYIGJGLPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(2)11(6(3)12)4-7(8,9)10/h5H,4H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 183.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60770830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).