2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol

C13H15BrF3NO — CID 60885883

IUPAC2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO/c14-8-5-6-10(9(7-8)13(15,16)17)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2
InChIKeyOIEYOTQWLVOJOT-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.18
Rot. Bonds2

About 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol

2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 60885883) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID60885883
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO/c14-8-5-6-10(9(7-8)13(15,16)17)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2
InChIKeyOIEYOTQWLVOJOT-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 60885883) is 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol is OC1CCCCC1Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is OIEYOTQWLVOJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c14-8-5-6-10(9(7-8)13(15,16)17)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2.
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 338.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 60885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).