1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene

C10H8F10 — CID 91718993

IUPAC1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene
SMILESFC(F)=C(CCCCC(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F10/c11-7(12)5(9(15,16)17)3-1-2-4-6(8(13)14)10(18,19)20/h1-4H2
InChIKeyIBWQTCBVBNDRQR-UHFFFAOYSA-N
MW318.15 g/mol
LogP5.97
Rot. Bonds5

About 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene

1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene (PubChem CID 91718993) has the molecular formula C10H8F10 and a molecular weight of 318.15 g/mol. Its IUPAC name is 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene.

Molecular Properties

Compound Name1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene
PubChem CID91718993
Molecular FormulaC10H8F10
Molecular Weight318.15 g/mol
Exact Mass318.05
IUPAC Name1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene
SMILESFC(F)=C(CCCCC(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F10/c11-7(12)5(9(15,16)17)3-1-2-4-6(8(13)14)10(18,19)20/h1-4H2
InChIKeyIBWQTCBVBNDRQR-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene?
The IUPAC name of 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene (CID 91718993) is 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene.
What is the SMILES notation for 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene?
The canonical SMILES for 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene is FC(F)=C(CCCCC(=C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene?
The InChIKey is IBWQTCBVBNDRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F10/c11-7(12)5(9(15,16)17)3-1-2-4-6(8(13)14)10(18,19)20/h1-4H2.
What are the key properties of 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene?
1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene has a molecular weight of 318.15 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,8,8-tetrafluoro-2,7-bis(trifluoromethyl)octa-1,7-diene is sourced from PubChem (CID 91718993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).