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

C13H24F3NO — CID 55094483

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-12,18H,3-9H2,1-2H3
InChIKeyCDDKAQAEDGPXFI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds5

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094483) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID55094483
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-12,18H,3-9H2,1-2H3
InChIKeyCDDKAQAEDGPXFI-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 55094483) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is CDDKAQAEDGPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).