(2Z)-2-fluoro-5-methylhexa-2,4-diene

C7H11F — CID 22239126

IUPAC(2Z)-2-fluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C)F
InChIInChI=1S/C7H11F/c1-6(2)4-5-7(3)8/h4-5H,1-3H3/b7-5-
InChIKeyLYNBDUQEYHFKAC-ALCCZGGFSA-N
MW114.16 g/mol
LogP2.83
Rot. Bonds1

About (2Z)-2-fluoro-5-methylhexa-2,4-diene

(2Z)-2-fluoro-5-methylhexa-2,4-diene (PubChem CID 22239126) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is (2Z)-2-fluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-2-fluoro-5-methylhexa-2,4-diene
PubChem CID22239126
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name(2Z)-2-fluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C)F
InChIInChI=1S/C7H11F/c1-6(2)4-5-7(3)8/h4-5H,1-3H3/b7-5-
InChIKeyLYNBDUQEYHFKAC-ALCCZGGFSA-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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Related Compounds

Biisocrotyl
CID 12992
4-Methyl-1,3-pentadiene
CID 13555
2-Methyl-2,4-hexadiene
CID 5367611
2-Methylhexa-2,4-diene
CID 520396
Prenyl fluoride
CID 53743473
1-Fluorohexa-2,4-diene
CID 54013665
trans,trans-1-Fluoro-2,4-hexadiene
CID 92033406
3-Fluoro-2,5-dimethylhexa-2,4-diene
CID 13397637
(4Z)-3-fluoro-2-methylhexa-2,4-diene
CID 14191090
(4Z)-2-methylhexa-2,4-diene
CID 12483894
3-Fluoro-4-methylpenta-1,3-diene
CID 12638873
(4E)-3-fluoro-2-methylhexa-2,4-diene
CID 14191089

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-fluoro-5-methylhexa-2,4-diene?
The IUPAC name of (2Z)-2-fluoro-5-methylhexa-2,4-diene (CID 22239126) is (2Z)-2-fluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for (2Z)-2-fluoro-5-methylhexa-2,4-diene?
The canonical SMILES for (2Z)-2-fluoro-5-methylhexa-2,4-diene is CC(C)=C/C=C(/C)F.
What is the InChIKey of (2Z)-2-fluoro-5-methylhexa-2,4-diene?
The InChIKey is LYNBDUQEYHFKAC-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H11F/c1-6(2)4-5-7(3)8/h4-5H,1-3H3/b7-5-.
What are the key properties of (2Z)-2-fluoro-5-methylhexa-2,4-diene?
(2Z)-2-fluoro-5-methylhexa-2,4-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 (2Z)-2-fluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 22239126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).