2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene

C21H19F5 — CID 121476182

IUPAC2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(C3=CC=C(CC)C(F)(F)C3(F)F)ccc2c1
InChIInChI=1S/C21H19F5/c1-3-5-13-6-9-16-14(12-13)7-10-17(19(16)22)18-11-8-15(4-2)20(23,24)21(18,25)26/h6-12H,3-5H2,1-2H3
InChIKeyATGAYSJLPUEBKI-UHFFFAOYSA-N
MW366.37 g/mol
LogP6.94
Rot. Bonds4

About 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene

2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene (PubChem CID 121476182) has the molecular formula C21H19F5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene
PubChem CID121476182
Molecular FormulaC21H19F5
Molecular Weight366.37 g/mol
Exact Mass366.14
IUPAC Name2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(C3=CC=C(CC)C(F)(F)C3(F)F)ccc2c1
InChIInChI=1S/C21H19F5/c1-3-5-13-6-9-16-14(12-13)7-10-17(19(16)22)18-11-8-15(4-2)20(23,24)21(18,25)26/h6-12H,3-5H2,1-2H3
InChIKeyATGAYSJLPUEBKI-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 121476289
1-fluoro-7-propylphenanthrene
CID 141032936
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336
2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
CID 58839975
1-(2-chloro-4-pentylphenyl)-5,5,6,6-tetrafluoro-4-(2-fluoroethyl)cyclohexa-1,3-diene
CID 121476172
2-propyl-7-(3,4,5-trifluorophenyl)phenanthrene
CID 22044943
2-[2-(4-fluorophenyl)ethynyl]-7-propylphenanthrene
CID 22044919
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893
6-butyl-1-fluoro-2-[4-(4-methylphenyl)phenyl]naphthalene;1-fluoro-2-[4-(4-methylphenyl)phenyl]-6-pentylnaphthalene
CID 18411080
2-iodo-7-propylphenanthrene
CID 22044694
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene?
The IUPAC name of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene (CID 121476182) is 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene is CCCc1ccc2c(F)c(C3=CC=C(CC)C(F)(F)C3(F)F)ccc2c1.
What is the InChIKey of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene?
The InChIKey is ATGAYSJLPUEBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5/c1-3-5-13-6-9-16-14(12-13)7-10-17(19(16)22)18-11-8-15(4-2)20(23,24)21(18,25)26/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene?
2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene has a molecular weight of 366.37 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene is sourced from PubChem (CID 121476182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).