6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene

C24H13F5 — CID 139847194

IUPAC6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
SMILESC=Cc1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H13F5/c1-2-13-3-6-17(20(25)9-13)15-4-7-18(21(26)11-15)14-5-8-19-16(10-14)12-22(27)24(29)23(19)28/h2-12H,1H2
InChIKeySDYUCUDYWBSWCU-UHFFFAOYSA-N
MW396.36 g/mol
LogP7.51
Rot. Bonds3

About 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene

6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene (PubChem CID 139847194) has the molecular formula C24H13F5 and a molecular weight of 396.36 g/mol. Its IUPAC name is 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
PubChem CID139847194
Molecular FormulaC24H13F5
Molecular Weight396.36 g/mol
Exact Mass396.09
IUPAC Name6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
SMILESC=Cc1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H13F5/c1-2-13-3-6-17(20(25)9-13)15-4-7-18(21(26)11-15)14-5-8-19-16(10-14)12-22(27)24(29)23(19)28/h2-12H,1H2
InChIKeySDYUCUDYWBSWCU-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 57.51
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-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
CID 139846798
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
CID 118001113
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
4-(4-ethenyl-2-fluorophenyl)aniline
CID 174631918
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]benzaldehyde
CID 86708833
4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
CID 89129145
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
CID 151175004
6-(4-but-3-enyl-2-fluorophenyl)-2-(2,2-difluoroethenyl)-1,3-difluoronaphthalene
CID 139856030

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene (CID 139847194) is 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene is C=Cc1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene?
The InChIKey is SDYUCUDYWBSWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F5/c1-2-13-3-6-17(20(25)9-13)15-4-7-18(21(26)11-15)14-5-8-19-16(10-14)12-22(27)24(29)23(19)28/h2-12H,1H2.
What are the key properties of 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene?
6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene has a molecular weight of 396.36 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 139847194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).