(1E)-1-fluoropenta-1,4-diene

C5H7F — CID 87196328

IUPAC(1E)-1-fluoropenta-1,4-diene
SMILESC=CC/C=C/F
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h2,4-5H,1,3H2/b5-4+
InChIKeyFOYLMZUXYHEHFK-SNAWJCMRSA-N
MW86.11 g/mol
LogP2.05
Rot. Bonds2

About (1E)-1-fluoropenta-1,4-diene

(1E)-1-fluoropenta-1,4-diene (PubChem CID 87196328) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is (1E)-1-fluoropenta-1,4-diene.

Molecular Properties

Compound Name(1E)-1-fluoropenta-1,4-diene
PubChem CID87196328
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name(1E)-1-fluoropenta-1,4-diene
SMILESC=CC/C=C/F
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h2,4-5H,1,3H2/b5-4+
InChIKeyFOYLMZUXYHEHFK-SNAWJCMRSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluorohexa-1,5-diene
CID 154126554
hexa-1,4-diene
CID 163631115
6-iodohexa-1,4-diene
CID 73158271
hexa-1,4-diene;hydrate
CID 162019515
(3Z)-hepta-1,3,6-trien-1-one
CID 134874022
1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
trimethyl-[(1E)-penta-1,4-dienyl]silane
CID 12533407
6,7-difluoroocta-1,4,6-triene
CID 91531817
(2E)-hexa-2,5-dien-1-one;yttrium(3+)
CID 20773911
(2Z)-hexa-2,5-dien-1-one;yttrium
CID 59997179
CID 134889000
CID 134889000
penta-1,4-diene-1-sulfonamide
CID 174872703

Frequently Asked Questions

What is the IUPAC name of (1E)-1-fluoropenta-1,4-diene?
The IUPAC name of (1E)-1-fluoropenta-1,4-diene (CID 87196328) is (1E)-1-fluoropenta-1,4-diene.
What is the SMILES notation for (1E)-1-fluoropenta-1,4-diene?
The canonical SMILES for (1E)-1-fluoropenta-1,4-diene is C=CC/C=C/F.
What is the InChIKey of (1E)-1-fluoropenta-1,4-diene?
The InChIKey is FOYLMZUXYHEHFK-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H7F/c1-2-3-4-5-6/h2,4-5H,1,3H2/b5-4+.
What are the key properties of (1E)-1-fluoropenta-1,4-diene?
(1E)-1-fluoropenta-1,4-diene has a molecular weight of 86.11 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-fluoropenta-1,4-diene is sourced from PubChem (CID 87196328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).