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

C13H22F3NO — CID 62609561

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H22F3NO/c1-9-2-5-12(18)10(6-9)7-17(11-3-4-11)8-13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyFPYYLWVSIAQVQG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds4

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

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 62609561) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID62609561
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H22F3NO/c1-9-2-5-12(18)10(6-9)7-17(11-3-4-11)8-13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyFPYYLWVSIAQVQG-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 62609561) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is FPYYLWVSIAQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9-2-5-12(18)10(6-9)7-17(11-3-4-11)8-13(14,15)16/h9-12,18H,2-8H2,1H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 4 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-methylcyclohexan-1-ol is sourced from PubChem (CID 62609561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).