4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene

C14H9BrClF3O — CID 134629432

IUPAC4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1cccc(-c2cc(CBr)ccc2Cl)c1
InChIInChI=1S/C14H9BrClF3O/c15-8-9-4-5-13(16)12(6-9)10-2-1-3-11(7-10)20-14(17,18)19/h1-7H,8H2
InChIKeyRWDAIXCSDIVOEB-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.80
Rot. Bonds3

About 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene

4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 134629432) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID134629432
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1cccc(-c2cc(CBr)ccc2Cl)c1
InChIInChI=1S/C14H9BrClF3O/c15-8-9-4-5-13(16)12(6-9)10-2-1-3-11(7-10)20-14(17,18)19/h1-7H,8H2
InChIKeyRWDAIXCSDIVOEB-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
CID 167725245
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 134619600
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene (CID 134629432) is 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1cccc(-c2cc(CBr)ccc2Cl)c1.
What is the InChIKey of 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is RWDAIXCSDIVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-8-9-4-5-13(16)12(6-9)10-2-1-3-11(7-10)20-14(17,18)19/h1-7H,8H2.
What are the key properties of 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene?
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 365.58 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134629432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).