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

C7H4Br2F2 — CID 118830363

IUPAC2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(F)c(Br)c1Br
InChIInChI=1S/C7H4Br2F2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,3H2
InChIKeyPTFPAWSBOKQNAG-UHFFFAOYSA-N
MW285.91 g/mol
LogP3.82
Rot. Bonds1

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

2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene (PubChem CID 118830363) has the molecular formula C7H4Br2F2 and a molecular weight of 285.91 g/mol. Its IUPAC name is 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
PubChem CID118830363
Molecular FormulaC7H4Br2F2
Molecular Weight285.91 g/mol
Exact Mass283.86
IUPAC Name2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(F)c(Br)c1Br
InChIInChI=1S/C7H4Br2F2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,3H2
InChIKeyPTFPAWSBOKQNAG-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-methylbenzene;2,4-dibromo-1-(fluoromethyl)benzene
CID 91474323
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
CID 167144100
3-bromo-2-chloro-1-(chloromethyl)-4-fluorobenzene
CID 131587310
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
2-[3-bromo-2-(bromomethyl)-4-fluorophenyl]acetonitrile
CID 130820715
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
CID 130140582
2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900309
2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene?
The IUPAC name of 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene (CID 118830363) is 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene.
What is the SMILES notation for 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene?
The canonical SMILES for 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene is FCc1ccc(F)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene?
The InChIKey is PTFPAWSBOKQNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,3H2.
What are the key properties of 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene?
2,3-dibromo-1-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 2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene is sourced from PubChem (CID 118830363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).