5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene

C15H13BrF2O2 — CID 102939947

IUPAC5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
SMILESFc1cc(CBr)cc(F)c1OCOCc1ccccc1
InChIInChI=1S/C15H13BrF2O2/c16-8-12-6-13(17)15(14(18)7-12)20-10-19-9-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyZYZWGNWLNWMTPA-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.41
Rot. Bonds6

About 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene

5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene (PubChem CID 102939947) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
PubChem CID102939947
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
SMILESFc1cc(CBr)cc(F)c1OCOCc1ccccc1
InChIInChI=1S/C15H13BrF2O2/c16-8-12-6-13(17)15(14(18)7-12)20-10-19-9-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyZYZWGNWLNWMTPA-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
[3-fluoro-2-(phenylmethoxymethoxy)phenyl]methanol
CID 102939875
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1,3-benzothiazole
CID 104631391
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
CID 102939333
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene?
The IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene (CID 102939947) is 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene is Fc1cc(CBr)cc(F)c1OCOCc1ccccc1.
What is the InChIKey of 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene?
The InChIKey is ZYZWGNWLNWMTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c16-8-12-6-13(17)15(14(18)7-12)20-10-19-9-11-4-2-1-3-5-11/h1-7H,8-10H2.
What are the key properties of 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene?
5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene has a molecular weight of 343.17 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 102939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).