1-[bromo(difluoro)methyl]-2,3-difluorobenzene

C7H3BrF4 — CID 68872760

IUPAC1-[bromo(difluoro)methyl]-2,3-difluorobenzene
SMILESFc1cccc(C(F)(F)Br)c1F
InChIInChI=1S/C7H3BrF4/c8-7(11,12)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyKGVNMBUGRIRVPI-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.41
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-2,3-difluorobenzene

1-[bromo(difluoro)methyl]-2,3-difluorobenzene (PubChem CID 68872760) has the molecular formula C7H3BrF4 and a molecular weight of 243.00 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-2,3-difluorobenzene
PubChem CID68872760
Molecular FormulaC7H3BrF4
Molecular Weight243.00 g/mol
Exact Mass241.94
IUPAC Name1-[bromo(difluoro)methyl]-2,3-difluorobenzene
SMILESFc1cccc(C(F)(F)Br)c1F
InChIInChI=1S/C7H3BrF4/c8-7(11,12)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyKGVNMBUGRIRVPI-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
2-bromo-3-(2,3-difluorophenyl)-2,3,3-trifluoropropanenitrile
CID 175198869
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174535656
(2,3-difluorophenyl)-phosphanylmethanediol
CID 130314726
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
1,2,3-trifluorobenzene
CID 15147
1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
CID 174854875
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
1-(4-bromo-2-methylpentan-2-yl)-2,3-difluorobenzene
CID 64716002
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-2,3-difluorobenzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-2,3-difluorobenzene (CID 68872760) is 1-[bromo(difluoro)methyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-2,3-difluorobenzene is Fc1cccc(C(F)(F)Br)c1F.
What is the InChIKey of 1-[bromo(difluoro)methyl]-2,3-difluorobenzene?
The InChIKey is KGVNMBUGRIRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4/c8-7(11,12)4-2-1-3-5(9)6(4)10/h1-3H.
What are the key properties of 1-[bromo(difluoro)methyl]-2,3-difluorobenzene?
1-[bromo(difluoro)methyl]-2,3-difluorobenzene has a molecular weight of 243.00 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-2,3-difluorobenzene is sourced from PubChem (CID 68872760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).