2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid

C15H24F3NO2 — CID 63068985

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H24F3NO2/c1-2-3-10-4-7-12(14(20)21)13(8-10)19(11-5-6-11)9-15(16,17)18/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyZDVDZRAHSRGCLC-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.68
Rot. Bonds6

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63068985) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
PubChem CID63068985
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H24F3NO2/c1-2-3-10-4-7-12(14(20)21)13(8-10)19(11-5-6-11)9-15(16,17)18/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyZDVDZRAHSRGCLC-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid (CID 63068985) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is ZDVDZRAHSRGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-2-3-10-4-7-12(14(20)21)13(8-10)19(11-5-6-11)9-15(16,17)18/h10-13H,2-9H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).