6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene

C22H15F5 — CID 139856030

IUPAC6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H15F5/c1-2-3-4-13-5-7-16(19(23)9-13)14-6-8-17-15(10-14)11-20(24)18(22(17)27)12-21(25)26/h2,5-12H,1,3-4H2
InChIKeyGSKATJDXDWUFQM-UHFFFAOYSA-N
MW374.35 g/mol
LogP7.28
Rot. Bonds5

About 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene

6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene (PubChem CID 139856030) has the molecular formula C22H15F5 and a molecular weight of 374.35 g/mol. Its IUPAC name is 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene.

Molecular Properties

Compound Name6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
PubChem CID139856030
Molecular FormulaC22H15F5
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H15F5/c1-2-3-4-13-5-7-16(19(23)9-13)14-6-8-17-15(10-14)11-20(24)18(22(17)27)12-21(25)26/h2,5-12H,1,3-4H2
InChIKeyGSKATJDXDWUFQM-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139856184
2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139875167
4-[2-[6-(4-but-3-enyl-2-fluorophenyl)-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139873321
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872752
2-(2,2-difluoroethenyl)-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855835
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
CID 139856385
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
CID 139855676
2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene
CID 139855803
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene?
The IUPAC name of 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene (CID 139856030) is 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene.
What is the SMILES notation for 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene?
The canonical SMILES for 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene is C=CCCc1ccc(-c2ccc3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene?
The InChIKey is GSKATJDXDWUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5/c1-2-3-4-13-5-7-16(19(23)9-13)14-6-8-17-15(10-14)11-20(24)18(22(17)27)12-21(25)26/h2,5-12H,1,3-4H2.
What are the key properties of 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene?
6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene has a molecular weight of 374.35 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene is sourced from PubChem (CID 139856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).