3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene

C7H3BrClF3 — CID 119013054

IUPAC3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
SMILESFc1ccc(Cl)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,7H
InChIKeyWSWSQOZPRQCETR-UHFFFAOYSA-N
MW259.45 g/mol
LogP4.18
Rot. Bonds1

About 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene

3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene (PubChem CID 119013054) has the molecular formula C7H3BrClF3 and a molecular weight of 259.45 g/mol. Its IUPAC name is 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene.

Molecular Properties

Compound Name3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
PubChem CID119013054
Molecular FormulaC7H3BrClF3
Molecular Weight259.45 g/mol
Exact Mass257.91
IUPAC Name3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
SMILESFc1ccc(Cl)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,7H
InChIKeyWSWSQOZPRQCETR-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
CID 130863176
1-chloro-2-(difluoromethyl)-4-fluoro-3-iodobenzene
CID 171004047
2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene
CID 119021867
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
3-bromo-1-chloro-4-(difluoromethyl)-2-fluorobenzene
CID 118542468
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
2-bromo-3-chloro-6-fluoroaniline
CID 106701544
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
CID 131344298
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
CID 171366108
2-bromo-1-chloro-3-ethenyl-4-fluorobenzene
CID 122237486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene?
The IUPAC name of 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene (CID 119013054) is 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene.
What is the SMILES notation for 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene?
The canonical SMILES for 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene is Fc1ccc(Cl)c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene?
The InChIKey is WSWSQOZPRQCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,7H.
What are the key properties of 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene?
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene has a molecular weight of 259.45 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene is sourced from PubChem (CID 119013054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).