6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene

C19H10F4O — CID 139854060

IUPAC6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene
SMILESCOc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1F
InChIInChI=1S/C19H10F4O/c1-24-17-7-6-12(18(22)19(17)23)4-2-11-3-5-13-9-15(20)16(21)10-14(13)8-11/h3,5-10H,1H3
InChIKeyFDVOZIHUYKBRET-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.80
Rot. Bonds1

About 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene

6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene (PubChem CID 139854060) has the molecular formula C19H10F4O and a molecular weight of 330.28 g/mol. Its IUPAC name is 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene.

Molecular Properties

Compound Name6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene
PubChem CID139854060
Molecular FormulaC19H10F4O
Molecular Weight330.28 g/mol
Exact Mass330.07
IUPAC Name6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene
SMILESCOc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1F
InChIInChI=1S/C19H10F4O/c1-24-17-7-6-12(18(22)19(17)23)4-2-11-3-5-13-9-15(20)16(21)10-14(13)8-11/h3,5-10H,1H3
InChIKeyFDVOZIHUYKBRET-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-6-[2-(2,3,5-trifluoro-4-methoxyphenyl)ethynyl]naphthalene
CID 139854630
2,3-difluoro-6-[2-[2-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]ethynyl]naphthalene
CID 139858391
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methoxybenzene
CID 70820083
6-[2-(4-but-3-enyl-2,3-difluorophenyl)ethynyl]-2,3-difluoronaphthalene
CID 139854280
2-fluoro-6-[2-[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857229
2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
CID 139846949
6-[2-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858824
6-[2-[4-[(E)-but-2-enoxy]-2,3-difluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139854318
6-[2-[4-[2-(2,6-difluoro-4-methoxyphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139856759
2,3-difluoro-6-[2-[4-[2-(2-fluoro-4-pentoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858822
6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858828
2,3-difluoro-6-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139858376

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene?
The IUPAC name of 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene (CID 139854060) is 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene.
What is the SMILES notation for 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene?
The canonical SMILES for 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene is COc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1F.
What is the InChIKey of 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene?
The InChIKey is FDVOZIHUYKBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4O/c1-24-17-7-6-12(18(22)19(17)23)4-2-11-3-5-13-9-15(20)16(21)10-14(13)8-11/h3,5-10H,1H3.
What are the key properties of 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene?
6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene has a molecular weight of 330.28 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-2,3-difluoronaphthalene is sourced from PubChem (CID 139854060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).