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

C12H22F3NO — CID 65208481

IUPAC1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N(CC(F)(F)F)CC1(O)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16(9-12(13,14)15)8-11(17)6-4-3-5-7-11/h10,17H,3-9H2,1-2H3
InChIKeyCKVPYNYXRAWYTE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.95
Rot. Bonds4

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

1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65208481) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID65208481
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N(CC(F)(F)F)CC1(O)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16(9-12(13,14)15)8-11(17)6-4-3-5-7-11/h10,17H,3-9H2,1-2H3
InChIKeyCKVPYNYXRAWYTE-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.95
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]cyclohexan-1-ol?
The IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 65208481) is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CC(C)N(CC(F)(F)F)CC1(O)CCCCC1.
What is the InChIKey of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CKVPYNYXRAWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)16(9-12(13,14)15)8-11(17)6-4-3-5-7-11/h10,17H,3-9H2,1-2H3.
What are the key properties of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.95, 4 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]cyclohexan-1-ol is sourced from PubChem (CID 65208481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).