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

C14H9BrF4O — CID 107086881

IUPAC4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESFc1ccccc1Oc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-8-9-5-6-12(10(7-9)14(17,18)19)20-13-4-2-1-3-11(13)16/h1-7H,8H2
InChIKeyAUZDJBBOAQWOGP-UHFFFAOYSA-N
MW349.12 g/mol
LogP5.53
Rot. Bonds3

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

4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene (PubChem CID 107086881) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
PubChem CID107086881
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESFc1ccccc1Oc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-8-9-5-6-12(10(7-9)14(17,18)19)20-13-4-2-1-3-11(13)16/h1-7H,8H2
InChIKeyAUZDJBBOAQWOGP-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63534904
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
1-[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]-3,5-dimethylbenzene
CID 107087012
4-(bromomethyl)-1-(2-fluorophenoxy)-2-nitrobenzene
CID 107086880
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
4-(bromomethyl)-1-[(2-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63535396
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene (CID 107086881) is 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene is Fc1ccccc1Oc1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is AUZDJBBOAQWOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-8-9-5-6-12(10(7-9)14(17,18)19)20-13-4-2-1-3-11(13)16/h1-7H,8H2.
What are the key properties of 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene?
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 349.12 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107086881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).