(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene

C9H12F4 — CID 172572003

IUPAC(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene
SMILESC/C(CF)=C(F)/C(F)=C(/C)CCF
InChIInChI=1S/C9H12F4/c1-6(3-4-10)8(12)9(13)7(2)5-11/h3-5H2,1-2H3/b8-6+,9-7+
InChIKeyAUNKHHXEGDNWOQ-CDJQDVQCSA-N
MW196.19 g/mol
LogP3.80
Rot. Bonds4

About (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene

(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene (PubChem CID 172572003) has the molecular formula C9H12F4 and a molecular weight of 196.19 g/mol. Its IUPAC name is (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene
PubChem CID172572003
Molecular FormulaC9H12F4
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene
SMILESC/C(CF)=C(F)/C(F)=C(/C)CCF
InChIInChI=1S/C9H12F4/c1-6(3-4-10)8(12)9(13)7(2)5-11/h3-5H2,1-2H3/b8-6+,9-7+
InChIKeyAUNKHHXEGDNWOQ-CDJQDVQCSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.80
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 (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene (CID 172572003) is (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene is C/C(CF)=C(F)/C(F)=C(/C)CCF.
What is the InChIKey of (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene?
The InChIKey is AUNKHHXEGDNWOQ-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H12F4/c1-6(3-4-10)8(12)9(13)7(2)5-11/h3-5H2,1-2H3/b8-6+,9-7+.
What are the key properties of (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene?
(2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene has a molecular weight of 196.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,3,4,7-tetrafluoro-2,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 172572003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).