4-(2-fluoroethoxy)penta-1,3-diene

C7H11FO — CID 123196217

IUPAC4-(2-fluoroethoxy)penta-1,3-diene
SMILESC=CC=C(C)OCCF
InChIInChI=1S/C7H11FO/c1-3-4-7(2)9-6-5-8/h3-4H,1,5-6H2,2H3
InChIKeyZWDYWFZAEOUDSV-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.06
Rot. Bonds4

About 4-(2-fluoroethoxy)penta-1,3-diene

4-(2-fluoroethoxy)penta-1,3-diene (PubChem CID 123196217) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)penta-1,3-diene.

Molecular Properties

Compound Name4-(2-fluoroethoxy)penta-1,3-diene
PubChem CID123196217
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name4-(2-fluoroethoxy)penta-1,3-diene
SMILESC=CC=C(C)OCCF
InChIInChI=1S/C7H11FO/c1-3-4-7(2)9-6-5-8/h3-4H,1,5-6H2,2H3
InChIKeyZWDYWFZAEOUDSV-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)penta-1,3-diene?
The IUPAC name of 4-(2-fluoroethoxy)penta-1,3-diene (CID 123196217) is 4-(2-fluoroethoxy)penta-1,3-diene.
What is the SMILES notation for 4-(2-fluoroethoxy)penta-1,3-diene?
The canonical SMILES for 4-(2-fluoroethoxy)penta-1,3-diene is C=CC=C(C)OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)penta-1,3-diene?
The InChIKey is ZWDYWFZAEOUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-4-7(2)9-6-5-8/h3-4H,1,5-6H2,2H3.
What are the key properties of 4-(2-fluoroethoxy)penta-1,3-diene?
4-(2-fluoroethoxy)penta-1,3-diene has a molecular weight of 130.16 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)penta-1,3-diene is sourced from PubChem (CID 123196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).