2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H20F3NO3 — CID 103978245

IUPAC2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-6-1-2-7-11(10)18-12(19)8-4-3-5-9(8)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyKZHCRRBZWBCZGH-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.72
Rot. Bonds3

About 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978245) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978245
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-6-1-2-7-11(10)18-12(19)8-4-3-5-9(8)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyKZHCRRBZWBCZGH-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868352
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 138002411
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622347
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103978245) is 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KZHCRRBZWBCZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)10-6-1-2-7-11(10)18-12(19)8-4-3-5-9(8)13(20)21/h8-11H,1-7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).