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

C14H26F3NO — CID 55094670

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-13,19H,3-10H2,1-2H3
InChIKeyQXUTYDFTZFQOMV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds6

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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094670) 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-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID55094670
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-13,19H,3-10H2,1-2H3
InChIKeyQXUTYDFTZFQOMV-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
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]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 55094670) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CC)CC(F)(F)F)C1.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is QXUTYDFTZFQOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.45, 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]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).