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

C11H16F3NO3 — CID 63783481

IUPAC4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-2-4-8(5-3-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyOITAIVGBWZSJOE-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds3

About 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783481) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783481
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-2-4-8(5-3-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyOITAIVGBWZSJOE-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783481) is 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OITAIVGBWZSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15(6-11(12,13)14)9(16)7-2-4-8(5-3-7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).