1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol

C11H11BrF4O — CID 79954757

IUPAC1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrF4O/c12-9-6-7(1-2-10(9)13)5-8(17)3-4-11(14,15)16/h1-2,6,8,17H,3-5H2
InChIKeyOBQYICAEPRTCMA-UHFFFAOYSA-N
MW315.10 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol

1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79954757) has the molecular formula C11H11BrF4O and a molecular weight of 315.10 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
PubChem CID79954757
Molecular FormulaC11H11BrF4O
Molecular Weight315.10 g/mol
Exact Mass313.99
IUPAC Name1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrF4O/c12-9-6-7(1-2-10(9)13)5-8(17)3-4-11(14,15)16/h1-2,6,8,17H,3-5H2
InChIKeyOBQYICAEPRTCMA-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(3-bromo-4-fluorophenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027437
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(3-bromo-4-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66145409
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79952878
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105082327
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol (CID 79954757) is 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol is OC(CCC(F)(F)F)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is OBQYICAEPRTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4O/c12-9-6-7(1-2-10(9)13)5-8(17)3-4-11(14,15)16/h1-2,6,8,17H,3-5H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol?
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 315.10 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79954757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).