7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene

C22H20F2 — CID 139862852

IUPAC7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1
InChIInChI=1S/C22H20F2/c1-3-5-6-16-9-12-18-14-20(22(24)21(23)19(18)13-16)17-10-7-15(4-2)8-11-17/h3,7-14H,1,4-6H2,2H3
InChIKeyMQDGEKYYQYPOLZ-UHFFFAOYSA-N
MW322.40 g/mol
LogP6.47
Rot. Bonds5

About 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene

7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene (PubChem CID 139862852) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene.

Molecular Properties

Compound Name7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
PubChem CID139862852
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1
InChIInChI=1S/C22H20F2/c1-3-5-6-16-9-12-18-14-20(22(24)21(23)19(18)13-16)17-10-7-15(4-2)8-11-17/h3,7-14H,1,4-6H2,2H3
InChIKeyMQDGEKYYQYPOLZ-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 56.47
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

3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
CID 139861232
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139863236
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139877193
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139876866
2-[4-(4-but-3-enylphenyl)-3-fluorophenyl]-6-ethylnaphthalene-1-carbaldehyde
CID 87486956
2-but-3-enyl-6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoronaphthalene
CID 139875904
3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
2-[2-[4-(4-but-3-enylphenyl)phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139877478
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The IUPAC name of 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene (CID 139862852) is 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene.
What is the SMILES notation for 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The canonical SMILES for 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene is C=CCCc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1.
What is the InChIKey of 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The InChIKey is MQDGEKYYQYPOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-3-5-6-16-9-12-18-14-20(22(24)21(23)19(18)13-16)17-10-7-15(4-2)8-11-17/h3,7-14H,1,4-6H2,2H3.
What are the key properties of 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene has a molecular weight of 322.40 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene is sourced from PubChem (CID 139862852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).