5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene

C12H16F4 — CID 121476153

IUPAC5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC)C(F)(F)C1(F)F
InChIInChI=1S/C12H16F4/c1-3-5-9-7-8-10(6-4-2)12(15,16)11(9,13)14/h7-8H,3-6H2,1-2H3
InChIKeyAONWSDZIIKSEDN-UHFFFAOYSA-N
MW236.25 g/mol
LogP4.72
Rot. Bonds4

About 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene (PubChem CID 121476153) has the molecular formula C12H16F4 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene
PubChem CID121476153
Molecular FormulaC12H16F4
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC)C(F)(F)C1(F)F
InChIInChI=1S/C12H16F4/c1-3-5-9-7-8-10(6-4-2)12(15,16)11(9,13)14/h7-8H,3-6H2,1-2H3
InChIKeyAONWSDZIIKSEDN-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene (CID 121476153) is 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene is CCCC1=CC=C(CCC)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene?
The InChIKey is AONWSDZIIKSEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4/c1-3-5-9-7-8-10(6-4-2)12(15,16)11(9,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1,4-dipropylcyclohexa-1,3-diene has a molecular weight of 236.25 g/mol, XLogP of 4.72, 4 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-1,4-dipropylcyclohexa-1,3-diene is sourced from PubChem (CID 121476153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).