1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene

C7H3Br2F3 — CID 131214209

IUPAC1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
SMILESFCc1c(Br)cc(F)c(F)c1Br
InChIInChI=1S/C7H3Br2F3/c8-4-1-5(11)7(12)6(9)3(4)2-10/h1H,2H2
InChIKeyRAYHMMKWTNJKRA-UHFFFAOYSA-N
MW303.90 g/mol
LogP3.96
Rot. Bonds1

About 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene

1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene (PubChem CID 131214209) has the molecular formula C7H3Br2F3 and a molecular weight of 303.90 g/mol. Its IUPAC name is 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
PubChem CID131214209
Molecular FormulaC7H3Br2F3
Molecular Weight303.90 g/mol
Exact Mass301.86
IUPAC Name1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
SMILESFCc1c(Br)cc(F)c(F)c1Br
InChIInChI=1S/C7H3Br2F3/c8-4-1-5(11)7(12)6(9)3(4)2-10/h1H,2H2
InChIKeyRAYHMMKWTNJKRA-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051
1,2,3,5-tetrabromo-4-(fluoromethyl)benzene;1,2,4,5-tetrabromo-3-fluoro-6-methylbenzene
CID 91295525
1,3,4-tribromo-5-fluoro-2-methylbenzene;1,3,5-tribromo-2-(fluoromethyl)benzene
CID 91412854
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
4-(3-bromo-2,5,6-trifluorophenyl)butan-1-amine
CID 117115711
2,6-dibromo-3,4-difluorophenol
CID 84814133
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
3-bromo-1,2,4,5-tetrafluorobenzene;formonitrile
CID 146309479
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
2,5-dibromo-3,6-difluorophenol
CID 118990727

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene?
The IUPAC name of 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene (CID 131214209) is 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene?
The canonical SMILES for 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene is FCc1c(Br)cc(F)c(F)c1Br.
What is the InChIKey of 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene?
The InChIKey is RAYHMMKWTNJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F3/c8-4-1-5(11)7(12)6(9)3(4)2-10/h1H,2H2.
What are the key properties of 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene?
1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene has a molecular weight of 303.90 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene is sourced from PubChem (CID 131214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).