6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

C28H23F3 — CID 139875167

IUPAC6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F3/c1-2-3-4-20-8-15-25(27(30)17-20)22-12-16-26-23(18-22)11-10-21(28(26)31)9-5-19-6-13-24(29)14-7-19/h2,6-8,10-18H,1,3-5,9H2
InChIKeyCIJVHDJXQUTRID-UHFFFAOYSA-N
MW416.49 g/mol
LogP7.83
Rot. Bonds7

About 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 139875167) has the molecular formula C28H23F3 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID139875167
Molecular FormulaC28H23F3
Molecular Weight416.49 g/mol
Exact Mass416.18
IUPAC Name6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F3/c1-2-3-4-20-8-15-25(27(30)17-20)22-12-16-26-23(18-22)11-10-21(28(26)31)9-5-19-6-13-24(29)14-7-19/h2,6-8,10-18H,1,3-5,9H2
InChIKeyCIJVHDJXQUTRID-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 57.83
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

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
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
4-[2-[6-(4-but-3-enylphenyl)-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
CID 139872494
6-[2-(4-but-3-enylphenyl)ethyl]-2-[2-(4-chloro-3-fluorophenyl)ethyl]-1-fluoronaphthalene
CID 139873753
6-[2-(4-but-3-enyl-2-fluorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139872248
6-(4-but-3-enyl-2,6-difluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875498
1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139874633
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
CID 139856030
1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871419
5-but-3-enyl-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139874315

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (CID 139875167) is 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is C=CCCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is CIJVHDJXQUTRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3/c1-2-3-4-20-8-15-25(27(30)17-20)22-12-16-26-23(18-22)11-10-21(28(26)31)9-5-19-6-13-24(29)14-7-19/h2,6-8,10-18H,1,3-5,9H2.
What are the key properties of 6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 416.49 g/mol, XLogP of 7.83, 7 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)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 139875167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).