5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene

C15H12BrF3O — CID 114346366

IUPAC5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene
SMILESCc1cc(F)ccc1COc1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H12BrF3O/c1-9-4-12(17)3-2-11(9)8-20-15-13(18)5-10(7-16)6-14(15)19/h2-6H,7-8H2,1H3
InChIKeyBGELYUSQPRVUKL-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.89
Rot. Bonds4

About 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene

5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene (PubChem CID 114346366) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene
PubChem CID114346366
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene
SMILESCc1cc(F)ccc1COc1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H12BrF3O/c1-9-4-12(17)3-2-11(9)8-20-15-13(18)5-10(7-16)6-14(15)19/h2-6H,7-8H2,1H3
InChIKeyBGELYUSQPRVUKL-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.89
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-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
5-(bromomethyl)-2-[(2,5-difluorophenyl)methoxy]-1,3-dimethylbenzene
CID 63535162
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-3-fluorobenzonitrile
CID 43324535
4-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102668791
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene?
The IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene (CID 114346366) is 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene?
The canonical SMILES for 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene is Cc1cc(F)ccc1COc1c(F)cc(CBr)cc1F.
What is the InChIKey of 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene?
The InChIKey is BGELYUSQPRVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-9-4-12(17)3-2-11(9)8-20-15-13(18)5-10(7-16)6-14(15)19/h2-6H,7-8H2,1H3.
What are the key properties of 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene?
5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene has a molecular weight of 345.16 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene is sourced from PubChem (CID 114346366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).