1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO — CID 79125402

IUPAC1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(C)(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-10(2,8-16)11(17)6-4-5-9(7-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyMEMJAOBPPUHUSR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.85
Rot. Bonds3

About 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125402) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125402
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(C)(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-10(2,8-16)11(17)6-4-5-9(7-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyMEMJAOBPPUHUSR-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 79125402) is 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CCC(C)(CN)C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MEMJAOBPPUHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-10(2,8-16)11(17)6-4-5-9(7-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3.
What are the key properties of 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).