5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene

C7H2BrClF4 — CID 45358382

IUPAC5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H
InChIKeyBBEDFMIZRIVTRI-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.26
Rot. Bonds

About 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene

5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 45358382) has the molecular formula C7H2BrClF4 and a molecular weight of 277.44 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID45358382
Molecular FormulaC7H2BrClF4
Molecular Weight277.44 g/mol
Exact Mass275.90
IUPAC Name5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H
InChIKeyBBEDFMIZRIVTRI-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788
2-bromo-1-chloro-3-fluoro-4-(trifluoromethyl)benzene
CID 171032702
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide
CID 168653021
5-bromo-1-chloro-2-isocyanato-3-(trifluoromethyl)benzene
CID 169352144
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
1-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 130352597
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene (CID 45358382) is 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is BBEDFMIZRIVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H.
What are the key properties of 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene?
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 277.44 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 45358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).