1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene

C14H16F4 — CID 121476160

IUPAC1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESC=CCCC1=CC=C(CCC=C)C(F)(F)C1(F)F
InChIInChI=1S/C14H16F4/c1-3-5-7-11-9-10-12(8-6-4-2)14(17,18)13(11,15)16/h3-4,9-10H,1-2,5-8H2
InChIKeySDMLHWDPEJPMAE-UHFFFAOYSA-N
MW260.27 g/mol
LogP5.06
Rot. Bonds6

About 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene

1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene (PubChem CID 121476160) has the molecular formula C14H16F4 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene
PubChem CID121476160
Molecular FormulaC14H16F4
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESC=CCCC1=CC=C(CCC=C)C(F)(F)C1(F)F
InChIInChI=1S/C14H16F4/c1-3-5-7-11-9-10-12(8-6-4-2)14(17,18)13(11,15)16/h3-4,9-10H,1-2,5-8H2
InChIKeySDMLHWDPEJPMAE-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-(4,4,4-Trifluorobutyl)cyclopenta-1,3-diene
CID 67541333
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
Cyclohexene, 1-(1-methylene-3-butenyl)-
CID 10920669
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
3-(Difluoromethylidene)cyclohexene
CID 14226789
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 15769647
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 17936271

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The IUPAC name of 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene (CID 121476160) is 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene.
What is the SMILES notation for 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The canonical SMILES for 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene is C=CCCC1=CC=C(CCC=C)C(F)(F)C1(F)F.
What is the InChIKey of 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The InChIKey is SDMLHWDPEJPMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4/c1-3-5-7-11-9-10-12(8-6-4-2)14(17,18)13(11,15)16/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene has a molecular weight of 260.27 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(but-3-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene is sourced from PubChem (CID 121476160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).