1-bromo-3-fluoro-5-(fluoromethyl)benzene

C7H5BrF2 — CID 118045958

IUPAC1-bromo-3-fluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H5BrF2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,4H2
InChIKeyDOUOYKLCOQRKDP-UHFFFAOYSA-N
MW207.02 g/mol
LogP3.06
Rot. Bonds1

About 1-bromo-3-fluoro-5-(fluoromethyl)benzene

1-bromo-3-fluoro-5-(fluoromethyl)benzene (PubChem CID 118045958) has the molecular formula C7H5BrF2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-(fluoromethyl)benzene
PubChem CID118045958
Molecular FormulaC7H5BrF2
Molecular Weight207.02 g/mol
Exact Mass205.95
IUPAC Name1-bromo-3-fluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H5BrF2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,4H2
InChIKeyDOUOYKLCOQRKDP-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
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CID 79711556
3-bromo-5-fluorobenzonitrile;(3-bromo-5-fluorophenyl)methanamine
CID 157132448
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284
1-(azidomethyl)-3-bromo-5-fluorobenzene
CID 79702529
1-(3-bromo-5-fluorophenyl)-3-methylsulfanylpropan-2-one
CID 79701369
1-bromo-3-fluoro-5-(propoxymethyl)benzene
CID 79701687
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-(fluoromethyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-5-(fluoromethyl)benzene (CID 118045958) is 1-bromo-3-fluoro-5-(fluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-(fluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-5-(fluoromethyl)benzene is FCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-fluoro-5-(fluoromethyl)benzene?
The InChIKey is DOUOYKLCOQRKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,4H2.
What are the key properties of 1-bromo-3-fluoro-5-(fluoromethyl)benzene?
1-bromo-3-fluoro-5-(fluoromethyl)benzene has a molecular weight of 207.02 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-(fluoromethyl)benzene is sourced from PubChem (CID 118045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).