5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene

C13H7BrCl3F — CID 134628714

IUPAC5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
SMILESFc1ccc(CBr)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-6-7-1-2-12(18)9(3-7)8-4-10(15)13(17)11(16)5-8/h1-5H,6H2
InChIKeyHHOWZIMTWGBFGG-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.35
Rot. Bonds2

About 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene

5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene (PubChem CID 134628714) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene.

Molecular Properties

Compound Name5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
PubChem CID134628714
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
SMILESFc1ccc(CBr)cc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-6-7-1-2-12(18)9(3-7)8-4-10(15)13(17)11(16)5-8/h1-5H,6H2
InChIKeyHHOWZIMTWGBFGG-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene
CID 134617193
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
1,2,3-trichloro-5-[4-chloro-2-(difluoromethyl)phenyl]benzene
CID 118809022
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585

Frequently Asked Questions

What is the IUPAC name of 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene?
The IUPAC name of 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene (CID 134628714) is 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene.
What is the SMILES notation for 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene?
The canonical SMILES for 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene is Fc1ccc(CBr)cc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene?
The InChIKey is HHOWZIMTWGBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-6-7-1-2-12(18)9(3-7)8-4-10(15)13(17)11(16)5-8/h1-5H,6H2.
What are the key properties of 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene?
5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene has a molecular weight of 368.46 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene is sourced from PubChem (CID 134628714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).