1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene

C9H11F5 — CID 88853533

IUPAC1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene
SMILESC=CCC(C)(C)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H11F5/c1-4-5-8(2,3)9(13,14)6(10)7(11)12/h4H,1,5H2,2-3H3
InChIKeyDCZUFKRWIHCXAI-UHFFFAOYSA-N
MW214.18 g/mol
LogP4.30
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene

1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene (PubChem CID 88853533) has the molecular formula C9H11F5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene
PubChem CID88853533
Molecular FormulaC9H11F5
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene
SMILESC=CCC(C)(C)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H11F5/c1-4-5-8(2,3)9(13,14)6(10)7(11)12/h4H,1,5H2,2-3H3
InChIKeyDCZUFKRWIHCXAI-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene?
The IUPAC name of 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene (CID 88853533) is 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene is C=CCC(C)(C)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene?
The InChIKey is DCZUFKRWIHCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5/c1-4-5-8(2,3)9(13,14)6(10)7(11)12/h4H,1,5H2,2-3H3.
What are the key properties of 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene?
1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene has a molecular weight of 214.18 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-4,4-dimethylhepta-1,6-diene is sourced from PubChem (CID 88853533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).