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

C13H24F3NO — CID 62271107

IUPAC[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)N(CC(F)(F)F)CC1(CO)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h11,18H,3-10H2,1-2H3
InChIKeyWBXIEPMOXQNJKF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds5

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

[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol (PubChem CID 62271107) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
PubChem CID62271107
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)N(CC(F)(F)F)CC1(CO)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h11,18H,3-10H2,1-2H3
InChIKeyWBXIEPMOXQNJKF-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol (CID 62271107) is [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol is CC(C)N(CC(F)(F)F)CC1(CO)CCCCC1.
What is the InChIKey of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is WBXIEPMOXQNJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h11,18H,3-10H2,1-2H3.
What are the key properties of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol?
[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62271107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).