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

C15H28F3NO — CID 62703991

IUPAC4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H28F3NO/c1-10(2)12-5-6-14(20)13(7-12)8-19(11(3)4)9-15(16,17)18/h10-14,20H,5-9H2,1-4H3
InChIKeyLVFOGJXOPIAMIA-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.69
Rot. Bonds5

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

4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62703991) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62703991
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H28F3NO/c1-10(2)12-5-6-14(20)13(7-12)8-19(11(3)4)9-15(16,17)18/h10-14,20H,5-9H2,1-4H3
InChIKeyLVFOGJXOPIAMIA-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62703991) is 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CC(C)C1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LVFOGJXOPIAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-10(2)12-5-6-14(20)13(7-12)8-19(11(3)4)9-15(16,17)18/h10-14,20H,5-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).