6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene

C33H20F8 — CID 87488708

IUPAC6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(-c3cc(F)c(-c4ccccc4-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)ccc2c1
InChIInChI=1S/C33H20F8/c1-2-3-6-18-9-11-23-19(13-18)10-12-24(32(23)38)21-14-26(34)30(27(35)15-21)25-8-5-4-7-22(25)20-16-28(36)31(29(37)17-20)33(39,40)41/h2,4-5,7-17H,1,3,6H2
InChIKeyGIIHJMLSYDTVDK-UHFFFAOYSA-N
MW568.51 g/mol
LogP10.67
Rot. Bonds6

About 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene

6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene (PubChem CID 87488708) has the molecular formula C33H20F8 and a molecular weight of 568.51 g/mol. Its IUPAC name is 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene
PubChem CID87488708
Molecular FormulaC33H20F8
Molecular Weight568.51 g/mol
Exact Mass568.14
IUPAC Name6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(-c3cc(F)c(-c4ccccc4-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)ccc2c1
InChIInChI=1S/C33H20F8/c1-2-3-6-18-9-11-23-19(13-18)10-12-24(32(23)38)21-14-26(34)30(27(35)15-21)25-8-5-4-7-22(25)20-16-28(36)31(29(37)17-20)33(39,40)41/h2,4-5,7-17H,1,3,6H2
InChIKeyGIIHJMLSYDTVDK-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.51
LogP ≤ 510.67
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

6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
2-but-3-enyl-6-[3,5-difluoro-4-[3-fluoro-4-[2-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87933948
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
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
6-[2-(4-but-3-enylphenyl)ethynyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1-fluoronaphthalene
CID 139850659
5-but-3-enyl-2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]pyridine
CID 139870793
6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855517
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
5-[4-(4-but-3-enylphenyl)-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 59207606
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872752

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene?
The IUPAC name of 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene (CID 87488708) is 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene is C=CCCc1ccc2c(F)c(-c3cc(F)c(-c4ccccc4-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)ccc2c1.
What is the InChIKey of 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene?
The InChIKey is GIIHJMLSYDTVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F8/c1-2-3-6-18-9-11-23-19(13-18)10-12-24(32(23)38)21-14-26(34)30(27(35)15-21)25-8-5-4-7-22(25)20-16-28(36)31(29(37)17-20)33(39,40)41/h2,4-5,7-17H,1,3,6H2.
What are the key properties of 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene?
6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene has a molecular weight of 568.51 g/mol, XLogP of 10.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-3,5-difluorophenyl]-1-fluoronaphthalene is sourced from PubChem (CID 87488708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).