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

C13H18F3NO3 — CID 63783507

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)7-17(10-5-6-10)11(18)8-1-3-9(4-2-8)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyRIHNYYOTKCAQDQ-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.43
Rot. Bonds4

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

4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783507) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783507
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)7-17(10-5-6-10)11(18)8-1-3-9(4-2-8)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyRIHNYYOTKCAQDQ-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783507) is 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RIHNYYOTKCAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)7-17(10-5-6-10)11(18)8-1-3-9(4-2-8)12(19)20/h8-10H,1-7H2,(H,19,20).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).