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

C12H16F3NO3 — CID 54868352

IUPAC2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)8-3-1-2-4-9(8)16-10(17)6-5-7(6)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyRYALQSAEYJMMSZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.94
Rot. Bonds3

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

2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868352) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868352
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)8-3-1-2-4-9(8)16-10(17)6-5-7(6)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChIKeyRYALQSAEYJMMSZ-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978245
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124833159
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 106359251
1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 138002411
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
cis-(1S,2R)-2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091906
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622347
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 64895229

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54868352) is 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RYALQSAEYJMMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)8-3-1-2-4-9(8)16-10(17)6-5-7(6)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.94, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).