1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene

C14H10BrClF2O — CID 107691509

IUPAC1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
SMILESFc1ccc(COc2ccc(CBr)cc2F)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-1-4-14(13(18)5-9)19-8-10-2-3-11(17)6-12(10)16/h1-6H,7-8H2
InChIKeyFAWCVDSTDZIVAN-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.09
Rot. Bonds4

About 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene

1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene (PubChem CID 107691509) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
PubChem CID107691509
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
SMILESFc1ccc(COc2ccc(CBr)cc2F)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-7-9-1-4-14(13(18)5-9)19-8-10-2-3-11(17)6-12(10)16/h1-6H,7-8H2
InChIKeyFAWCVDSTDZIVAN-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.09
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
4-(bromomethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691777
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906244

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene?
The IUPAC name of 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene (CID 107691509) is 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene is Fc1ccc(COc2ccc(CBr)cc2F)c(Cl)c1.
What is the InChIKey of 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene?
The InChIKey is FAWCVDSTDZIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-7-9-1-4-14(13(18)5-9)19-8-10-2-3-11(17)6-12(10)16/h1-6H,7-8H2.
What are the key properties of 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene?
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene has a molecular weight of 347.59 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene is sourced from PubChem (CID 107691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).