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

C15H28F3NO — CID 62609041

IUPAC2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H28F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-14,20H,4-10H2,1-3H3
InChIKeyWJVOQQAZHUVUBX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.84
Rot. Bonds6

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

2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62609041) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62609041
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H28F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-14,20H,4-10H2,1-3H3
InChIKeyWJVOQQAZHUVUBX-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094483
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094670
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105829
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764772
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61764957

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 62609041) is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is WJVOQQAZHUVUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-14,20H,4-10H2,1-3H3.
What are the key properties of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62609041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).