1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol

C12H14BrF3O — CID 115828321

IUPAC1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCc1ccc(Br)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C12H14BrF3O/c1-8-4-5-9(13)7-10(8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3
InChIKeyGYYCASWCHZBNOU-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.52
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol

1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 115828321) has the molecular formula C12H14BrF3O and a molecular weight of 311.14 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID115828321
Molecular FormulaC12H14BrF3O
Molecular Weight311.14 g/mol
Exact Mass310.02
IUPAC Name1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCc1ccc(Br)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C12H14BrF3O/c1-8-4-5-9(13)7-10(8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3
InChIKeyGYYCASWCHZBNOU-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 115516207
1-(2-bromo-5-iodophenyl)-5,5,5-trifluoropentan-1-ol
CID 114027276
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol (CID 115828321) is 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol is Cc1ccc(Br)cc1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is GYYCASWCHZBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3O/c1-8-4-5-9(13)7-10(8)11(17)3-2-6-12(14,15)16/h4-5,7,11,17H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 311.14 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115828321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).