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

C14H24F3NO2 — CID 63068144

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c1-3-5-10-6-7-11(13(19)20)12(8-10)18(4-2)9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyVGRFXVHVYYZSFQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.54
Rot. Bonds6

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63068144) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
PubChem CID63068144
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO2/c1-3-5-10-6-7-11(13(19)20)12(8-10)18(4-2)9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyVGRFXVHVYYZSFQ-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid (CID 63068144) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(CC)CC(F)(F)F)C1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is VGRFXVHVYYZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-3-5-10-6-7-11(13(19)20)12(8-10)18(4-2)9-14(15,16)17/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).