3-fluoro-2,4-dimethylpenta-1,3-diene

C7H11F — CID 12638878

IUPAC3-fluoro-2,4-dimethylpenta-1,3-diene
SMILESC=C(C)C(F)=C(C)C
InChIInChI=1S/C7H11F/c1-5(2)7(8)6(3)4/h1H2,2-4H3
InChIKeyPCUDQZZUBPHJOK-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds1

About 3-fluoro-2,4-dimethylpenta-1,3-diene

3-fluoro-2,4-dimethylpenta-1,3-diene (PubChem CID 12638878) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2,4-dimethylpenta-1,3-diene
PubChem CID12638878
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name3-fluoro-2,4-dimethylpenta-1,3-diene
SMILESC=C(C)C(F)=C(C)C
InChIInChI=1S/C7H11F/c1-5(2)7(8)6(3)4/h1H2,2-4H3
InChIKeyPCUDQZZUBPHJOK-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.83
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 3-fluoro-2,4-dimethylpenta-1,3-diene?
The IUPAC name of 3-fluoro-2,4-dimethylpenta-1,3-diene (CID 12638878) is 3-fluoro-2,4-dimethylpenta-1,3-diene.
What is the SMILES notation for 3-fluoro-2,4-dimethylpenta-1,3-diene?
The canonical SMILES for 3-fluoro-2,4-dimethylpenta-1,3-diene is C=C(C)C(F)=C(C)C.
What is the InChIKey of 3-fluoro-2,4-dimethylpenta-1,3-diene?
The InChIKey is PCUDQZZUBPHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-5(2)7(8)6(3)4/h1H2,2-4H3.
What are the key properties of 3-fluoro-2,4-dimethylpenta-1,3-diene?
3-fluoro-2,4-dimethylpenta-1,3-diene has a molecular weight of 114.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethylpenta-1,3-diene is sourced from PubChem (CID 12638878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).