2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene

C29H22F6 — CID 139856184

IUPAC2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H22F6/c1-2-3-4-5-17-6-9-21(25(30)12-17)19-7-10-22(26(31)14-19)18-8-11-23-20(13-18)15-27(32)24(29(23)35)16-28(33)34/h6-16H,2-5H2,1H3
InChIKeyBIVXOTFJCKHOGK-UHFFFAOYSA-N
MW484.48 g/mol
LogP9.70
Rot. Bonds7

About 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene

2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene (PubChem CID 139856184) has the molecular formula C29H22F6 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
PubChem CID139856184
Molecular FormulaC29H22F6
Molecular Weight484.48 g/mol
Exact Mass484.16
IUPAC Name2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H22F6/c1-2-3-4-5-17-6-9-21(25(30)12-17)19-7-10-22(26(31)14-19)18-8-11-23-20(13-18)15-27(32)24(29(23)35)16-28(33)34/h6-16H,2-5H2,1H3
InChIKeyBIVXOTFJCKHOGK-UHFFFAOYSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
2-(2,2-difluoroethenyl)-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855835
6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
CID 139856030
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
CID 139855232
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene (CID 139856184) is 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene is CCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)c(F)cc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The InChIKey is BIVXOTFJCKHOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6/c1-2-3-4-5-17-6-9-21(25(30)12-17)19-7-10-22(26(31)14-19)18-8-11-23-20(13-18)15-27(32)24(29(23)35)16-28(33)34/h6-16H,2-5H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene has a molecular weight of 484.48 g/mol, XLogP of 9.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene is sourced from PubChem (CID 139856184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).