1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene

C25H14F4 — CID 139846851

IUPAC1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene
SMILESCc1ccc(C#Cc2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H14F4/c1-15-2-5-17(23(27)12-15)6-3-16-4-9-20(24(28)13-16)18-7-10-21-19(14-18)8-11-22(26)25(21)29/h2,4-5,7-14H,1H3
InChIKeyQFYVEFLDBDUYMO-UHFFFAOYSA-N
MW390.38 g/mol
LogP6.77
Rot. Bonds1

About 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene

1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene (PubChem CID 139846851) has the molecular formula C25H14F4 and a molecular weight of 390.38 g/mol. Its IUPAC name is 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene
PubChem CID139846851
Molecular FormulaC25H14F4
Molecular Weight390.38 g/mol
Exact Mass390.10
IUPAC Name1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene
SMILESCc1ccc(C#Cc2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H14F4/c1-15-2-5-17(23(27)12-15)6-3-16-4-9-20(24(28)13-16)18-7-10-21-19(14-18)8-11-22(26)25(21)29/h2,4-5,7-14H,1H3
InChIKeyQFYVEFLDBDUYMO-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,2,3-trifluoronaphthalene
CID 139846720
6-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847137
6-[2-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847057
1,2-difluoro-6-(4-methylphenyl)naphthalene
CID 70883391
1,2,3-trifluoro-6-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]naphthalene
CID 139846553
6-[2-[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139857142
1,2,3-trifluoro-5-[2-[4-(2-fluoro-4-methylphenyl)phenyl]ethynyl]benzene
CID 22886253
6-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139857447
2-fluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methylbenzene
CID 20683303
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methoxybenzene
CID 70820083
1-[2-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 21359661
2,3-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethynyl]phenyl]naphthalene
CID 139846966

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene?
The IUPAC name of 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene (CID 139846851) is 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene.
What is the SMILES notation for 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene?
The canonical SMILES for 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene is Cc1ccc(C#Cc2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene?
The InChIKey is QFYVEFLDBDUYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F4/c1-15-2-5-17(23(27)12-15)6-3-16-4-9-20(24(28)13-16)18-7-10-21-19(14-18)8-11-22(26)25(21)29/h2,4-5,7-14H,1H3.
What are the key properties of 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene?
1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene has a molecular weight of 390.38 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene is sourced from PubChem (CID 139846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).