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

C13H20F3NO3 — CID 103978375

IUPAC2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H20F3NO3/c1-2-3-7-17(8-13(14,15)16)11(18)9-5-4-6-10(9)12(19)20/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyCTYYBZLRFNHSHB-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.68
Rot. Bonds6

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

2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978375) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978375
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H20F3NO3/c1-2-3-7-17(8-13(14,15)16)11(18)9-5-4-6-10(9)12(19)20/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyCTYYBZLRFNHSHB-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978375) is 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCCCN(CC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CTYYBZLRFNHSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-2-3-7-17(8-13(14,15)16)11(18)9-5-4-6-10(9)12(19)20/h9-10H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).