3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

C12H22F3NO — CID 66089188

IUPAC3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCC(CCO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9(5-6-17)8-16-11-4-2-3-10(7-11)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyYSONAPSOCQCUEP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds5

About 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 66089188) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID66089188
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCC(CCO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9(5-6-17)8-16-11-4-2-3-10(7-11)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyYSONAPSOCQCUEP-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 66089188) is 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is CC(CCO)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is YSONAPSOCQCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(5-6-17)8-16-11-4-2-3-10(7-11)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 66089188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).