5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene

C16H24F4 — CID 121476158

IUPAC5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene
SMILESCCCCCCCC1=CC=C(CCC)C(F)(F)C1(F)F
InChIInChI=1S/C16H24F4/c1-3-5-6-7-8-10-14-12-11-13(9-4-2)15(17,18)16(14,19)20/h11-12H,3-10H2,1-2H3
InChIKeyWXVMVZXSJCGZRZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP6.28
Rot. Bonds8

About 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene (PubChem CID 121476158) has the molecular formula C16H24F4 and a molecular weight of 292.36 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene
PubChem CID121476158
Molecular FormulaC16H24F4
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene
SMILESCCCCCCCC1=CC=C(CCC)C(F)(F)C1(F)F
InChIInChI=1S/C16H24F4/c1-3-5-6-7-8-10-14-12-11-13(9-4-2)15(17,18)16(14,19)20/h11-12H,3-10H2,1-2H3
InChIKeyWXVMVZXSJCGZRZ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-Octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-lambda2-stannane
CID 139594255
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
5-(2,2,2-Trifluoroethylidene)nonane
CID 121217681
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
5-(3,3,3-Trifluoro-propylidene)-nonane
CID 14400285
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexene
CID 10847151
3,3,4,4-Tetrafluoro-2,5-di(nonyl)bicyclo[4.2.0]octa-1,5,7-triene
CID 15522023
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
(1-Fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,2,3,3-hexafluorononyl)-methylphosphane
CID 23123553

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene (CID 121476158) is 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene is CCCCCCCC1=CC=C(CCC)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene?
The InChIKey is WXVMVZXSJCGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4/c1-3-5-6-7-8-10-14-12-11-13(9-4-2)15(17,18)16(14,19)20/h11-12H,3-10H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene has a molecular weight of 292.36 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-heptyl-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121476158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).