[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol

C13H24F3NO — CID 62271295

IUPAC[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
SMILESCCCN(CC(F)(F)F)CC1(CO)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-8-17(10-13(14,15)16)9-12(11-18)6-4-3-5-7-12/h18H,2-11H2,1H3
InChIKeyURWFGLOPBMRURL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds6

About [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol

[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol (PubChem CID 62271295) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
PubChem CID62271295
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
SMILESCCCN(CC(F)(F)F)CC1(CO)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-8-17(10-13(14,15)16)9-12(11-18)6-4-3-5-7-12/h18H,2-11H2,1H3
InChIKeyURWFGLOPBMRURL-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol (CID 62271295) is [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol is CCCN(CC(F)(F)F)CC1(CO)CCCCC1.
What is the InChIKey of [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is URWFGLOPBMRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-8-17(10-13(14,15)16)9-12(11-18)6-4-3-5-7-12/h18H,2-11H2,1H3.
What are the key properties of [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62271295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).