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

C14H9BrF4O — CID 134619444

IUPAC2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2ccccc2OC(F)(F)F)c(CBr)c1
InChIInChI=1S/C14H9BrF4O/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
InChIKeyQGYKDKYODWRCQB-UHFFFAOYSA-N
MW349.12 g/mol
LogP5.29
Rot. Bonds3

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

2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 134619444) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID134619444
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2ccccc2OC(F)(F)F)c(CBr)c1
InChIInChI=1S/C14H9BrF4O/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
InChIKeyQGYKDKYODWRCQB-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.12
LogP ≤ 55.29
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-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619432
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-[2-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
CID 134619357
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054
4-(chloromethyl)-2-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134628055
1-bromo-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616902
2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
CID 141469251

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene (CID 134619444) is 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene is Fc1ccc(-c2ccccc2OC(F)(F)F)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is QGYKDKYODWRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/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-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene?
2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 349.12 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134619444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).