(3Z)-3-ethynyl-4-fluoropenta-1,3-diene

C7H7F — CID 144826031

IUPAC(3Z)-3-ethynyl-4-fluoropenta-1,3-diene
SMILESC#C/C(C=C)=C(/C)F
InChIInChI=1S/C7H7F/c1-4-7(5-2)6(3)8/h1,5H,2H2,3H3/b7-6+
InChIKeyROUKYNZYWQXMLM-VOTSOKGWSA-N
MW110.13 g/mol
LogP2.05
Rot. Bonds1

About (3Z)-3-ethynyl-4-fluoropenta-1,3-diene

(3Z)-3-ethynyl-4-fluoropenta-1,3-diene (PubChem CID 144826031) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is (3Z)-3-ethynyl-4-fluoropenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-ethynyl-4-fluoropenta-1,3-diene
PubChem CID144826031
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name(3Z)-3-ethynyl-4-fluoropenta-1,3-diene
SMILESC#C/C(C=C)=C(/C)F
InChIInChI=1S/C7H7F/c1-4-7(5-2)6(3)8/h1,5H,2H2,3H3/b7-6+
InChIKeyROUKYNZYWQXMLM-VOTSOKGWSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Ethynyl-4-fluorohexa-1,3,5-triene
CID 123323351
(3Z,5E)-3-ethynyl-5-fluorohepta-1,3,5-triene
CID 167021732
(2E,4E,8E)-5-ethenyl-3-fluoro-8-methyldeca-2,4,8-trien-6-yne
CID 171074942
(3E)-3-ethynyl-1,3-pentadiene
CID 13838147
3-Ethynylpenta-1,3-diene
CID 57064571
Ethene;3-ethynyl-4-methylpenta-1,3-diene
CID 142429216
(3Z)-3-ethynylpenta-1,3-diene
CID 13838146
3-Ethynyl-4-methylpenta-1,3-diene
CID 142429217
(3Z)-3,4-dimethylhexa-1,3-dien-5-yne
CID 169129947

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethynyl-4-fluoropenta-1,3-diene?
The IUPAC name of (3Z)-3-ethynyl-4-fluoropenta-1,3-diene (CID 144826031) is (3Z)-3-ethynyl-4-fluoropenta-1,3-diene.
What is the SMILES notation for (3Z)-3-ethynyl-4-fluoropenta-1,3-diene?
The canonical SMILES for (3Z)-3-ethynyl-4-fluoropenta-1,3-diene is C#C/C(C=C)=C(/C)F.
What is the InChIKey of (3Z)-3-ethynyl-4-fluoropenta-1,3-diene?
The InChIKey is ROUKYNZYWQXMLM-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H7F/c1-4-7(5-2)6(3)8/h1,5H,2H2,3H3/b7-6+.
What are the key properties of (3Z)-3-ethynyl-4-fluoropenta-1,3-diene?
(3Z)-3-ethynyl-4-fluoropenta-1,3-diene has a molecular weight of 110.13 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethynyl-4-fluoropenta-1,3-diene is sourced from PubChem (CID 144826031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).