2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene

C33H23F5 — CID 68533355

IUPAC2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)F)c(F)c5)cc4)cc3)ccc2c1
InChIInChI=1S/C33H23F5/c1-2-3-4-21-5-6-28-18-27(16-15-26(28)17-21)24-11-7-22(8-12-24)23-9-13-25(14-10-23)29-19-30(34)32(31(35)20-29)33(36,37)38/h2,5-20H,1,3-4H2
InChIKeyUSFZAQHZAYDWFA-UHFFFAOYSA-N
MW514.54 g/mol
LogP10.26
Rot. Bonds6

About 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene

2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene (PubChem CID 68533355) has the molecular formula C33H23F5 and a molecular weight of 514.54 g/mol. Its IUPAC name is 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
PubChem CID68533355
Molecular FormulaC33H23F5
Molecular Weight514.54 g/mol
Exact Mass514.17
IUPAC Name2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)F)c(F)c5)cc4)cc3)ccc2c1
InChIInChI=1S/C33H23F5/c1-2-3-4-21-5-6-28-18-27(16-15-26(28)17-21)24-11-7-22(8-12-24)23-9-13-25(14-10-23)29-19-30(34)32(31(35)20-29)33(36,37)38/h2,5-20H,1,3-4H2
InChIKeyUSFZAQHZAYDWFA-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 510.26
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-but-3-enyl-6-[3,5-difluoro-4-[3-fluoro-4-[2-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87933948
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
2-but-3-enyl-6-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]naphthalene;2-ethyl-6-[3-fluoro-4-(4-methoxyphenyl)phenyl]naphthalene
CID 159973625
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene
CID 87488708
6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855517
2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
5-[2-[4-(4-but-3-enylphenyl)-2-fluorophenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 129037405
2-but-3-enyl-6-[4-(2-but-3-enylphenyl)phenyl]naphthalene
CID 174448129
2-(4-but-3-enylphenyl)-6-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459100
5-but-3-enyl-2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]pyridine
CID 139870793
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 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The IUPAC name of 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene (CID 68533355) is 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The canonical SMILES for 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene is C=CCCc1ccc2cc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)F)c(F)c5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
The InChIKey is USFZAQHZAYDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F5/c1-2-3-4-21-5-6-28-18-27(16-15-26(28)17-21)24-11-7-22(8-12-24)23-9-13-25(14-10-23)29-19-30(34)32(31(35)20-29)33(36,37)38/h2,5-20H,1,3-4H2.
What are the key properties of 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene?
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene has a molecular weight of 514.54 g/mol, XLogP of 10.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene is sourced from PubChem (CID 68533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).