4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene

C8H5BrClF3 — CID 23512765

IUPAC4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CBr)cc1Cl
InChIInChI=1S/C8H5BrClF3/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChIKeyDRGNXDDQVUFCEF-UHFFFAOYSA-N
MW273.48 g/mol
LogP4.25
Rot. Bonds1

About 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene

4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene (PubChem CID 23512765) has the molecular formula C8H5BrClF3 and a molecular weight of 273.48 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
PubChem CID23512765
Molecular FormulaC8H5BrClF3
Molecular Weight273.48 g/mol
Exact Mass271.92
IUPAC Name4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CBr)cc1Cl
InChIInChI=1S/C8H5BrClF3/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChIKeyDRGNXDDQVUFCEF-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.48
LogP ≤ 54.25
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-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
CID 145433545
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-3-chloropropan-1-one
CID 166641090
2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
CID 155024081
CID 145008308
CID 145008308
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene (CID 23512765) is 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene?
The InChIKey is DRGNXDDQVUFCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2.
What are the key properties of 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene?
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene has a molecular weight of 273.48 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 23512765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).