1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

C8H4Br2F4 — CID 175976807

IUPAC1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(C(Br)Br)cccc1C(F)(F)F
InChIInChI=1S/C8H4Br2F4/c9-7(10)4-2-1-3-5(6(4)11)8(12,13)14/h1-3,7H
InChIKeyHSDYAFUNDZPBCU-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.63
Rot. Bonds1

About 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 175976807) has the molecular formula C8H4Br2F4 and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID175976807
Molecular FormulaC8H4Br2F4
Molecular Weight335.92 g/mol
Exact Mass333.86
IUPAC Name1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(C(Br)Br)cccc1C(F)(F)F
InChIInChI=1S/C8H4Br2F4/c9-7(10)4-2-1-3-5(6(4)11)8(12,13)14/h1-3,7H
InChIKeyHSDYAFUNDZPBCU-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.63
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

1,3-bis(dibromomethyl)-2-fluorobenzene
CID 125479949
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
1,5-dibromo-2,4-bis[2-fluoro-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151614865
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
3-bromo-2-[bromo-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 80536997
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
1-[bis(phenylsulfanyl)methyl]-2-fluoro-3-(trifluoromethyl)benzene
CID 11047501
O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine
CID 155557741
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402
1-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79016252

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (CID 175976807) is 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(C(Br)Br)cccc1C(F)(F)F.
What is the InChIKey of 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is HSDYAFUNDZPBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F4/c9-7(10)4-2-1-3-5(6(4)11)8(12,13)14/h1-3,7H.
What are the key properties of 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 335.92 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 175976807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).