2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene

C20H15F3O2 — CID 139854596

IUPAC2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
SMILESC=CCOc1ccc(COc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H15F3O2/c1-2-7-24-17-6-4-14(18(21)11-17)12-25-16-5-3-13-9-19(22)20(23)10-15(13)8-16/h2-6,8-11H,1,7,12H2
InChIKeyHBLNZECSQRHBMO-UHFFFAOYSA-N
MW344.33 g/mol
LogP5.40
Rot. Bonds6

About 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene

2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene (PubChem CID 139854596) has the molecular formula C20H15F3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
PubChem CID139854596
Molecular FormulaC20H15F3O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
SMILESC=CCOc1ccc(COc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H15F3O2/c1-2-7-24-17-6-4-14(18(21)11-17)12-25-16-5-3-13-9-19(22)20(23)10-15(13)8-16/h2-6,8-11H,1,7,12H2
InChIKeyHBLNZECSQRHBMO-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2,6-difluoro-4-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857668
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139874633
2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
CID 139854219
2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139855297
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene?
The IUPAC name of 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene (CID 139854596) is 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene.
What is the SMILES notation for 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene?
The canonical SMILES for 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene is C=CCOc1ccc(COc2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene?
The InChIKey is HBLNZECSQRHBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O2/c1-2-7-24-17-6-4-14(18(21)11-17)12-25-16-5-3-13-9-19(22)20(23)10-15(13)8-16/h2-6,8-11H,1,7,12H2.
What are the key properties of 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene?
2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene has a molecular weight of 344.33 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene is sourced from PubChem (CID 139854596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).