6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene

C18H12F4 — CID 139847368

IUPAC6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
SMILESCCc1ccc(-c2cc(F)c3c(F)c(F)c(F)cc3c2)cc1
InChIInChI=1S/C18H12F4/c1-2-10-3-5-11(6-4-10)12-7-13-9-15(20)17(21)18(22)16(13)14(19)8-12/h3-9H,2H2,1H3
InChIKeyYKIIMBUMHCVRMP-UHFFFAOYSA-N
MW304.29 g/mol
LogP5.63
Rot. Bonds2

About 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene

6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene (PubChem CID 139847368) has the molecular formula C18H12F4 and a molecular weight of 304.29 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
PubChem CID139847368
Molecular FormulaC18H12F4
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
SMILESCCc1ccc(-c2cc(F)c3c(F)c(F)c(F)cc3c2)cc1
InChIInChI=1S/C18H12F4/c1-2-10-3-5-11(6-4-10)12-7-13-9-15(20)17(21)18(22)16(13)14(19)8-12/h3-9H,2H2,1H3
InChIKeyYKIIMBUMHCVRMP-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.29
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene?
The IUPAC name of 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene (CID 139847368) is 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene.
What is the SMILES notation for 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene?
The canonical SMILES for 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene is CCc1ccc(-c2cc(F)c3c(F)c(F)c(F)cc3c2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene?
The InChIKey is YKIIMBUMHCVRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4/c1-2-10-3-5-11(6-4-10)12-7-13-9-15(20)17(21)18(22)16(13)14(19)8-12/h3-9H,2H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene?
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene has a molecular weight of 304.29 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene is sourced from PubChem (CID 139847368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).