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

C14H9BrClF3O — CID 134619432

IUPAC2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccc(Cl)cc1CBr
InChIInChI=1S/C14H9BrClF3O/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)20-14(17,18)19/h1-7H,8H2
InChIKeyHGJBBPNQEIGPJG-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.80
Rot. Bonds3

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

2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 134619432) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID134619432
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccc(Cl)cc1CBr
InChIInChI=1S/C14H9BrClF3O/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)20-14(17,18)19/h1-7H,8H2
InChIKeyHGJBBPNQEIGPJG-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

2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619444
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
CID 118822408
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-(chloromethyl)-2-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134628055
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene (CID 134619432) is 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccccc1-c1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is HGJBBPNQEIGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-8-9-7-10(16)5-6-11(9)12-3-1-2-4-13(12)20-14(17,18)19/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene?
2-(bromomethyl)-4-chloro-1-[2-(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 2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134619432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).