1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene

C13H9BrF2O — CID 67434406

IUPAC1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
SMILESFc1c(Br)ccc(COc2ccccc2)c1F
InChIInChI=1S/C13H9BrF2O/c14-11-7-6-9(12(15)13(11)16)8-17-10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyLDSLLHLBSRBPIS-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene

1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene (PubChem CID 67434406) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
PubChem CID67434406
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
SMILESFc1c(Br)ccc(COc2ccccc2)c1F
InChIInChI=1S/C13H9BrF2O/c14-11-7-6-9(12(15)13(11)16)8-17-10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyLDSLLHLBSRBPIS-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
1-(3-bromo-2,6-difluorophenyl)-2-phenoxyethanamine
CID 106942398
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
4-bromo-2-methoxy-1-(phenoxymethyl)benzene
CID 117219523
3-bromo-4-methyl-5-(phenoxymethyl)pyridine
CID 57497997
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene?
The IUPAC name of 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene (CID 67434406) is 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene is Fc1c(Br)ccc(COc2ccccc2)c1F.
What is the InChIKey of 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene?
The InChIKey is LDSLLHLBSRBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-11-7-6-9(12(15)13(11)16)8-17-10-4-2-1-3-5-10/h1-7H,8H2.
What are the key properties of 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene?
1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene has a molecular weight of 299.11 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene is sourced from PubChem (CID 67434406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).