1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C24H20F10 — CID 121476293

IUPAC1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(c3ccc(CCC)c(F)c3F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C24H20F10/c1-3-5-13-7-9-15(20(26)19(13)25)16-11-12-18(24(33,34)22(16,29)30)17-10-8-14(6-4-2)21(27,28)23(17,31)32/h7-12H,3-6H2,1-2H3
InChIKeyHGQCIPGIINVGRO-UHFFFAOYSA-N
MW498.40 g/mol
LogP8.45
Rot. Bonds6

About 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 121476293) has the molecular formula C24H20F10 and a molecular weight of 498.40 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID121476293
Molecular FormulaC24H20F10
Molecular Weight498.40 g/mol
Exact Mass498.14
IUPAC Name1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(c3ccc(CCC)c(F)c3F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C24H20F10/c1-3-5-13-7-9-15(20(26)19(13)25)16-11-12-18(24(33,34)22(16,29)30)17-10-8-14(6-4-2)21(27,28)23(17,31)32/h7-12H,3-6H2,1-2H3
InChIKeyHGQCIPGIINVGRO-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene with MolForge

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Related Compounds

1-[3-(2,3-difluoro-4-propylphenoxy)-3,3-difluoropropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476229
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene
CID 121476182
1-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]ethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476301
1-(2-chloro-4-pentylphenyl)-5,5,6,6-tetrafluoro-4-(2-fluoroethyl)cyclohexa-1,3-diene
CID 121476172
2,3-difluoro-4-propylphenol
CID 14495704
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-1-[6-fluoro-6-(4-nonylphenyl)cyclohexa-1,3-dien-1-yl]-4-pentylbenzene
CID 154008715
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
CID 69428161
2-[(2,3-difluoro-4-pentylphenyl)methoxy]-1,8,9,9,10,10-hexafluoro-7-propylphenanthrene
CID 88552760
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 121476293) is 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CCCC1=CC=C(C2=CC=C(c3ccc(CCC)c(F)c3F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is HGQCIPGIINVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F10/c1-3-5-13-7-9-15(20(26)19(13)25)16-11-12-18(24(33,34)22(16,29)30)17-10-8-14(6-4-2)21(27,28)23(17,31)32/h7-12H,3-6H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 498.40 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).