2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene

C9H8BrF3O — CID 107699186

IUPAC2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(F)F)c(CBr)c1
InChIInChI=1S/C9H8BrF3O/c10-4-6-3-7(11)1-2-8(6)14-5-9(12)13/h1-3,9H,4-5H2
InChIKeyWIWKLOFXLKFEHW-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.36
Rot. Bonds4

About 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene

2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene (PubChem CID 107699186) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
PubChem CID107699186
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(F)F)c(CBr)c1
InChIInChI=1S/C9H8BrF3O/c10-4-6-3-7(11)1-2-8(6)14-5-9(12)13/h1-3,9H,4-5H2
InChIKeyWIWKLOFXLKFEHW-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.36
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)-1-(2-ethylbutoxy)-4-fluorobenzene
CID 107699131
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
2-(bromomethyl)-4-fluoro-1-(3-methylsulfonylpropoxy)benzene
CID 107699042
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
2-(bromomethyl)-4-fluoro-1-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]benzene
CID 67351737
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
CID 107087809

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene?
The IUPAC name of 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene (CID 107699186) is 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene is Fc1ccc(OCC(F)F)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene?
The InChIKey is WIWKLOFXLKFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c10-4-6-3-7(11)1-2-8(6)14-5-9(12)13/h1-3,9H,4-5H2.
What are the key properties of 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene?
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene has a molecular weight of 269.06 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene is sourced from PubChem (CID 107699186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).