6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene

C18H9F5 — CID 139846798

IUPAC6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
SMILESC=Cc1cc(F)c(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C18H9F5/c1-2-9-5-13(19)16(14(20)6-9)10-3-4-12-11(7-10)8-15(21)18(23)17(12)22/h2-8H,1H2
InChIKeyFWGYRQZFJJYWKH-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.85
Rot. Bonds2

About 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene

6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene (PubChem CID 139846798) has the molecular formula C18H9F5 and a molecular weight of 320.26 g/mol. Its IUPAC name is 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
PubChem CID139846798
Molecular FormulaC18H9F5
Molecular Weight320.26 g/mol
Exact Mass320.06
IUPAC Name6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
SMILESC=Cc1cc(F)c(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C18H9F5/c1-2-9-5-13(19)16(14(20)6-9)10-3-4-12-11(7-10)8-15(21)18(23)17(12)22/h2-8H,1H2
InChIKeyFWGYRQZFJJYWKH-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847194
4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
CID 118001113
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
6-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,2,3-trifluoronaphthalene
CID 139846720
6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
CID 151175004
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139855763
6-[2-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139847315
6-[4-[2-(4-butyl-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847008
6-[2,6-difluoro-4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458336
1,3-difluoro-2-methyl-6-(2,4,6-trifluorophenyl)naphthalene;2,4,6-trimethylbenzoyl fluoride
CID 90786833

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene (CID 139846798) is 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene is C=Cc1cc(F)c(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene?
The InChIKey is FWGYRQZFJJYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5/c1-2-9-5-13(19)16(14(20)6-9)10-3-4-12-11(7-10)8-15(21)18(23)17(12)22/h2-8H,1H2.
What are the key properties of 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene?
6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene has a molecular weight of 320.26 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 139846798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).