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

C12H18F3NO3 — CID 103978385

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H18F3NO3/c1-7(2)16(6-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyYMWBFJHCMBZRKV-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.29
Rot. Bonds4

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

2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978385) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978385
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H18F3NO3/c1-7(2)16(6-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyYMWBFJHCMBZRKV-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclopentanecarboxylic acid
CID 44375345
2-[Di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
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
1-[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 60948682
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-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978385) is 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YMWBFJHCMBZRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-7(2)16(6-12(13,14)15)10(17)8-4-3-5-9(8)11(18)19/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).