2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C14H26F3NO — CID 62704170

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-13,19H,4-9H2,1-3H3
InChIKeyJJEKYVSRJBISBL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds5

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704170) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704170
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-13,19H,4-9H2,1-3H3
InChIKeyJJEKYVSRJBISBL-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-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-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62704170) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JJEKYVSRJBISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-13,19H,4-9H2,1-3H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.30, 5 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]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).