1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol

C9H7BrF4O — CID 178201686

IUPAC1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)c(C(F)(F)F)cc1F
InChIInChI=1S/C9H7BrF4O/c1-4(15)5-2-7(10)6(3-8(5)11)9(12,13)14/h2-4,15H,1H3
InChIKeyMEDFSWPCYWYBRX-UHFFFAOYSA-N
MW287.05 g/mol
LogP3.66
Rot. Bonds1

About 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol

1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 178201686) has the molecular formula C9H7BrF4O and a molecular weight of 287.05 g/mol. Its IUPAC name is 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID178201686
Molecular FormulaC9H7BrF4O
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)c(C(F)(F)F)cc1F
InChIInChI=1S/C9H7BrF4O/c1-4(15)5-2-7(10)6(3-8(5)11)9(12,13)14/h2-4,15H,1H3
InChIKeyMEDFSWPCYWYBRX-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol
CID 139965753
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
CID 84673833
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol (CID 178201686) is 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol is CC(O)c1cc(Br)c(C(F)(F)F)cc1F.
What is the InChIKey of 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MEDFSWPCYWYBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O/c1-4(15)5-2-7(10)6(3-8(5)11)9(12,13)14/h2-4,15H,1H3.
What are the key properties of 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol?
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 287.05 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 178201686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).