2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol

C14H24F3NO — CID 55094671

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-10-3-6-13(19)11(7-10)8-18(12-4-5-12)9-14(15,16)17/h10-13,19H,2-9H2,1H3
InChIKeyYMIPPHAOLLDVGV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds5

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 55094671) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID55094671
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-10-3-6-13(19)11(7-10)8-18(12-4-5-12)9-14(15,16)17/h10-13,19H,2-9H2,1H3
InChIKeyYMIPPHAOLLDVGV-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 55094671) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is YMIPPHAOLLDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-10-3-6-13(19)11(7-10)8-18(12-4-5-12)9-14(15,16)17/h10-13,19H,2-9H2,1H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 5 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]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 55094671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).