2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene

C14H9BrF4O — CID 12994966

IUPAC2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
SMILESCOc1c(F)cc(-c2cc(F)c(CBr)c(F)c2)cc1F
InChIInChI=1S/C14H9BrF4O/c1-20-14-12(18)4-8(5-13(14)19)7-2-10(16)9(6-15)11(17)3-7/h2-5H,6H2,1H3
InChIKeyFZZMDLVRRZLVEF-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.81
Rot. Bonds3

About 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene

2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene (PubChem CID 12994966) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
PubChem CID12994966
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
SMILESCOc1c(F)cc(-c2cc(F)c(CBr)c(F)c2)cc1F
InChIInChI=1S/C14H9BrF4O/c1-20-14-12(18)4-8(5-13(14)19)7-2-10(16)9(6-15)11(17)3-7/h2-5H,6H2,1H3
InChIKeyFZZMDLVRRZLVEF-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 54.81
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

5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
1,2,4,5-tetrakis(bromomethyl)-3,6-dimethoxybenzene
CID 2748010
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
3,5-difluoro-4-methoxybenzenethiol
CID 50998081
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
3-(bromomethyl)-4-ethylperoxy-1,2-difluoro-5-methoxybenzene
CID 164741411
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
3-(bromomethyl)-5-fluoro-4-methoxybenzoic acid
CID 171024750

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene?
The IUPAC name of 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene (CID 12994966) is 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene is COc1c(F)cc(-c2cc(F)c(CBr)c(F)c2)cc1F.
What is the InChIKey of 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene?
The InChIKey is FZZMDLVRRZLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c1-20-14-12(18)4-8(5-13(14)19)7-2-10(16)9(6-15)11(17)3-7/h2-5H,6H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene?
2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene has a molecular weight of 349.12 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene is sourced from PubChem (CID 12994966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).