2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C12H22F3NO — CID 65108046

IUPAC2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-11(2,17)8-16-10-6-4-5-9(7-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyRQBZEECDSQZORG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 65108046) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID65108046
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-11(2,17)8-16-10-6-4-5-9(7-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyRQBZEECDSQZORG-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 65108046) is 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is CCC(C)(O)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is RQBZEECDSQZORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-11(2,17)8-16-10-6-4-5-9(7-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 65108046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).