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

C29H23F5 — CID 139855966

IUPAC2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H23F5/c1-2-3-4-5-18-6-11-23(26(30)14-18)21-9-12-24(27(31)16-21)19-10-13-25-20(15-19)7-8-22(29(25)34)17-28(32)33/h6-17H,2-5H2,1H3
InChIKeyABGKFOTZWYGERE-UHFFFAOYSA-N
MW466.49 g/mol
LogP9.56
Rot. Bonds7

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

2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene (PubChem CID 139855966) has the molecular formula C29H23F5 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
PubChem CID139855966
Molecular FormulaC29H23F5
Molecular Weight466.49 g/mol
Exact Mass466.17
IUPAC Name2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H23F5/c1-2-3-4-5-18-6-11-23(26(30)14-18)21-9-12-24(27(31)16-21)19-10-13-25-20(15-19)7-8-22(29(25)34)17-28(32)33/h6-17H,2-5H2,1H3
InChIKeyABGKFOTZWYGERE-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 59.56
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)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139856184
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
CID 139855676
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344
2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856152
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855624
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855410
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene (CID 139855966) is 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene is CCCCCc1ccc(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
The InChIKey is ABGKFOTZWYGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F5/c1-2-3-4-5-18-6-11-23(26(30)14-18)21-9-12-24(27(31)16-21)19-10-13-25-20(15-19)7-8-22(29(25)34)17-28(32)33/h6-17H,2-5H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene?
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene has a molecular weight of 466.49 g/mol, XLogP of 9.56, 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-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene is sourced from PubChem (CID 139855966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).