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

C10H14F3NO3 — CID 103978054

IUPAC2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-3-2-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyWBTYMWVUZBNNIY-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.51
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978054) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978054
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-3-2-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyWBTYMWVUZBNNIY-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(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
trans-(1R,2R)-2-(3,3-difluoroazetidine-1-carbonyl)-4-oxocyclopentane-1-carboxylic acid
CID 151211933
trans-(1R,2R)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-oxocyclopentane-1-carboxylic acid
CID 152332787
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-[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-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
2-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60949295
2-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60949312

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978054) is 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WBTYMWVUZBNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-3-2-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).