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

C10H11BrF4 — CID 155731469

IUPAC4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
SMILESCC.Fc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF4.C2H6/c9-4-5-1-2-7(10)6(3-5)8(11,12)13;1-2/h1-3H,4H2;1-2H3
InChIKeyVJIXUOAYCCGGFE-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.77
Rot. Bonds1

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

4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane (PubChem CID 155731469) has the molecular formula C10H11BrF4 and a molecular weight of 287.09 g/mol. Its IUPAC name is 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
PubChem CID155731469
Molecular FormulaC10H11BrF4
Molecular Weight287.09 g/mol
Exact Mass286.00
IUPAC Name4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
SMILESCC.Fc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF4.C2H6/c9-4-5-1-2-7(10)6(3-5)8(11,12)13;1-2/h1-3H,4H2;1-2H3
InChIKeyVJIXUOAYCCGGFE-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 54.77
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

ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
CID 143164725
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 156907937
[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane?
The IUPAC name of 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane (CID 155731469) is 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane is CC.Fc1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane?
The InChIKey is VJIXUOAYCCGGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4.C2H6/c9-4-5-1-2-7(10)6(3-5)8(11,12)13;1-2/h1-3H,4H2;1-2H3.
What are the key properties of 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane?
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane has a molecular weight of 287.09 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 155731469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).