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

C6H9F — CID 91548369

IUPAC4-fluoro-2-methylpenta-1,3-diene
SMILESC=C(C)C=C(C)F
InChIInChI=1S/C6H9F/c1-5(2)4-6(3)7/h4H,1H2,2-3H3
InChIKeyOQBRJFZAEIPNCO-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds1

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

4-fluoro-2-methylpenta-1,3-diene (PubChem CID 91548369) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 4-fluoro-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name4-fluoro-2-methylpenta-1,3-diene
PubChem CID91548369
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name4-fluoro-2-methylpenta-1,3-diene
SMILESC=C(C)C=C(C)F
InChIInChI=1S/C6H9F/c1-5(2)4-6(3)7/h4H,1H2,2-3H3
InChIKeyOQBRJFZAEIPNCO-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.44
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

(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
CID 145172629
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3E,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
CID 166121568
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(4E)-5-fluoro-3-(1-fluoroethenylsulfanyl)-2-methylhexa-2,4-diene
CID 131989191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylpenta-1,3-diene?
The IUPAC name of 4-fluoro-2-methylpenta-1,3-diene (CID 91548369) is 4-fluoro-2-methylpenta-1,3-diene.
What is the SMILES notation for 4-fluoro-2-methylpenta-1,3-diene?
The canonical SMILES for 4-fluoro-2-methylpenta-1,3-diene is C=C(C)C=C(C)F.
What is the InChIKey of 4-fluoro-2-methylpenta-1,3-diene?
The InChIKey is OQBRJFZAEIPNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-5(2)4-6(3)7/h4H,1H2,2-3H3.
What are the key properties of 4-fluoro-2-methylpenta-1,3-diene?
4-fluoro-2-methylpenta-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylpenta-1,3-diene is sourced from PubChem (CID 91548369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).