1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene

C7H4Br2F2 — CID 118824651

IUPAC1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(Br)c(F)c1Br
InChIInChI=1S/C7H4Br2F2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2
InChIKeyNYTRPKPCEWGJAF-UHFFFAOYSA-N
MW285.91 g/mol
LogP3.82
Rot. Bonds1

About 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene

1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene (PubChem CID 118824651) has the molecular formula C7H4Br2F2 and a molecular weight of 285.91 g/mol. Its IUPAC name is 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
PubChem CID118824651
Molecular FormulaC7H4Br2F2
Molecular Weight285.91 g/mol
Exact Mass283.86
IUPAC Name1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(Br)c(F)c1Br
InChIInChI=1S/C7H4Br2F2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2
InChIKeyNYTRPKPCEWGJAF-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.91
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene
CID 91311747
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
1-bromo-4-but-2-enyl-2,3-difluorobenzene
CID 175075918
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
2,3-dibromo-1-fluoro-4-methylbenzene;2,4-dibromo-1-(fluoromethyl)benzene
CID 91474323
1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
CID 90853447
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
CID 117337325

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene (CID 118824651) is 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene is FCc1ccc(Br)c(F)c1Br.
What is the InChIKey of 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene?
The InChIKey is NYTRPKPCEWGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2.
What are the key properties of 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene?
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene has a molecular weight of 285.91 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene is sourced from PubChem (CID 118824651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).