1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane

C9H9BrF4 — CID 144882970

IUPAC1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
SMILESCC.Fc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF4.C2H6/c8-6-2-1-4(9)3-5(6)7(10,11)12;1-2/h1-3H;1-2H3
InChIKeyIGKBWZSYRLARIU-UHFFFAOYSA-N
MW273.07 g/mol
LogP4.63
Rot. Bonds

About 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane

1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane (PubChem CID 144882970) has the molecular formula C9H9BrF4 and a molecular weight of 273.07 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
PubChem CID144882970
Molecular FormulaC9H9BrF4
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
SMILESCC.Fc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF4.C2H6/c8-6-2-1-4(9)3-5(6)7(10,11)12;1-2/h1-3H;1-2H3
InChIKeyIGKBWZSYRLARIU-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane 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-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131433063
4-bromo-N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43680371
1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 141113367
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385
[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
CID 174512968
1-[4-bromo-3-(trifluoromethyl)phenyl]-2,2-difluoroethanone
CID 130137126
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
[4-bromo-3-(trifluoromethyl)phenyl] dimethyl phosphate
CID 118593351
3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474659
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane (CID 144882970) is 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane is CC.Fc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane?
The InChIKey is IGKBWZSYRLARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4.C2H6/c8-6-2-1-4(9)3-5(6)7(10,11)12;1-2/h1-3H;1-2H3.
What are the key properties of 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane?
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane has a molecular weight of 273.07 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 144882970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).