4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene

C14H11BrF2O — CID 82919067

IUPAC4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESFc1ccc(COc2ccccc2CBr)cc1F
InChIInChI=1S/C14H11BrF2O/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2
InChIKeyZPNOKQZXXQLXHA-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.44
Rot. Bonds4

About 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene

4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene (PubChem CID 82919067) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
PubChem CID82919067
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESFc1ccc(COc2ccccc2CBr)cc1F
InChIInChI=1S/C14H11BrF2O/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2
InChIKeyZPNOKQZXXQLXHA-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.44
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-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene (CID 82919067) is 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene is Fc1ccc(COc2ccccc2CBr)cc1F.
What is the InChIKey of 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene?
The InChIKey is ZPNOKQZXXQLXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2.
What are the key properties of 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene?
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene has a molecular weight of 313.14 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene is sourced from PubChem (CID 82919067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).