1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene

C7H3BrClF3 — CID 175127177

IUPAC1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1C(F)(F)Br
InChIInChI=1S/C7H3BrClF3/c8-7(11,12)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyNVTDBYLNVNUIMM-UHFFFAOYSA-N
MW259.45 g/mol
LogP3.92
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene

1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene (PubChem CID 175127177) has the molecular formula C7H3BrClF3 and a molecular weight of 259.45 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
PubChem CID175127177
Molecular FormulaC7H3BrClF3
Molecular Weight259.45 g/mol
Exact Mass257.91
IUPAC Name1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1C(F)(F)Br
InChIInChI=1S/C7H3BrClF3/c8-7(11,12)4-2-1-3-5(9)6(4)10/h1-3H
InChIKeyNVTDBYLNVNUIMM-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
CID 68872760
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
1-chloro-2,3-difluorobenzene
CID 157449386
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene (CID 175127177) is 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene is Fc1c(Cl)cccc1C(F)(F)Br.
What is the InChIKey of 1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene?
The InChIKey is NVTDBYLNVNUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3/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]-3-chloro-2-fluorobenzene?
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene has a molecular weight of 259.45 g/mol, XLogP of 3.92, 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]-3-chloro-2-fluorobenzene is sourced from PubChem (CID 175127177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).