2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H18F3NO3 — CID 103978376

IUPAC2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H18F3NO3/c1-2-6-16(7-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyIUATXIKQVLYMNB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.29
Rot. Bonds5

About 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978376) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978376
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H18F3NO3/c1-2-6-16(7-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyIUATXIKQVLYMNB-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid 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

Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclopentanecarboxylic acid
CID 44375345
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
2-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
CID 60662817
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 60662861
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60890219
2-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60891372
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60891931
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60893279
1-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 60948783

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978376) is 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IUATXIKQVLYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-2-6-16(7-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).