1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene

C14H10BrClF2O — CID 114166545

IUPAC1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COCc1cccc(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-12-4-5-13(17)11(14(12)18)8-19-7-9-2-1-3-10(16)6-9/h1-6H,7-8H2
InChIKeyQZTIYUCPUJJWIA-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.10
Rot. Bonds4

About 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene

1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene (PubChem CID 114166545) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
PubChem CID114166545
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COCc1cccc(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c15-12-4-5-13(17)11(14(12)18)8-19-7-9-2-1-3-10(16)6-9/h1-6H,7-8H2
InChIKeyQZTIYUCPUJJWIA-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
CID 106269960
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene (CID 114166545) is 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1COCc1cccc(Cl)c1.
What is the InChIKey of 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene?
The InChIKey is QZTIYUCPUJJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-12-4-5-13(17)11(14(12)18)8-19-7-9-2-1-3-10(16)6-9/h1-6H,7-8H2.
What are the key properties of 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene?
1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene has a molecular weight of 347.59 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene is sourced from PubChem (CID 114166545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).