3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO — CID 165490689

IUPAC3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(2)7-16(3)11-6-9(17)4-5-10(11)12(13,14)15/h8-11,17H,4-7H2,1-3H3
InChIKeyAJACRHOYYOZUKC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

About 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490689) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490689
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(2)7-16(3)11-6-9(17)4-5-10(11)12(13,14)15/h8-11,17H,4-7H2,1-3H3
InChIKeyAJACRHOYYOZUKC-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490689) is 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)CN(C)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AJACRHOYYOZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(2)7-16(3)11-6-9(17)4-5-10(11)12(13,14)15/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).