N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide

C8H12F3NO — CID 103691326

IUPACN-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(NC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO/c1-7(2,5-3-4-5)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZKRBAKCZLKTCHV-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.85
Rot. Bonds2

About N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide

N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 103691326) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID103691326
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(NC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO/c1-7(2,5-3-4-5)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZKRBAKCZLKTCHV-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide 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

2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
2-cyano-N-(2-cyclopropylpropan-2-yl)propanamide
CID 103718279
4-amino-N-(2-cyclopropylpropan-2-yl)butanamide
CID 103795739
N-(2-cyclopropylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 103809622
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
CID 118990032
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-cyclopropyl-N-methylpropan-2-amine
CID 82593557
2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 114111563
N-tert-butyl-2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577778
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide (CID 103691326) is N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide is CC(C)(NC(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZKRBAKCZLKTCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-7(2,5-3-4-5)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide?
N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 195.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103691326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).