1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene

C8H5BrF4 — CID 166687880

IUPAC1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene
SMILESFc1cc(C(F)C(F)F)ccc1Br
InChIInChI=1S/C8H5BrF4/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7-8H
InChIKeyYNRGIYPGUMHURC-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.86
Rot. Bonds2

About 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene

1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene (PubChem CID 166687880) has the molecular formula C8H5BrF4 and a molecular weight of 257.02 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene
PubChem CID166687880
Molecular FormulaC8H5BrF4
Molecular Weight257.02 g/mol
Exact Mass255.95
IUPAC Name1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene
SMILESFc1cc(C(F)C(F)F)ccc1Br
InChIInChI=1S/C8H5BrF4/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7-8H
InChIKeyYNRGIYPGUMHURC-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
CID 175581175
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1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
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1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
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6-bromo-7-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
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(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile
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1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045
(1S)-1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
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CID 171267231

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene (CID 166687880) is 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene is Fc1cc(C(F)C(F)F)ccc1Br.
What is the InChIKey of 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene?
The InChIKey is YNRGIYPGUMHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7-8H.
What are the key properties of 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene?
1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene has a molecular weight of 257.02 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 166687880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).