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

C13H24F3NO — CID 55105829

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyRUPNMEDFTFWFKI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds4

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55105829) 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-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID55105829
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyRUPNMEDFTFWFKI-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
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-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 55105829) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RUPNMEDFTFWFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.91, 4 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55105829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).