(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

C8HF13 — CID 15274880

IUPAC(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESF/C(=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF13/c9-4(8(19,20)21)3(7(16,17)18)2(6(13,14)15)1-5(10,11)12/h1H/b2-1-,4-3-
InChIKeyDPXNAJTXBVCZPB-LOKDLIDFSA-N
MW344.07 g/mol
LogP5.39
Rot. Bonds1

About (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (PubChem CID 15274880) has the molecular formula C8HF13 and a molecular weight of 344.07 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
PubChem CID15274880
Molecular FormulaC8HF13
Molecular Weight344.07 g/mol
Exact Mass343.99
IUPAC Name(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESF/C(=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF13/c9-4(8(19,20)21)3(7(16,17)18)2(6(13,14)15)1-5(10,11)12/h1H/b2-1-,4-3-
InChIKeyDPXNAJTXBVCZPB-LOKDLIDFSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.07
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (CID 15274880) is (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is F/C(=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The InChIKey is DPXNAJTXBVCZPB-LOKDLIDFSA-N. The full InChI is InChI=1S/C8HF13/c9-4(8(19,20)21)3(7(16,17)18)2(6(13,14)15)1-5(10,11)12/h1H/b2-1-,4-3-.
What are the key properties of (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene has a molecular weight of 344.07 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 15274880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).