1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene

C10H12F2O — CID 87205929

IUPAC1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
SMILESC=CCC(=CF)OC(=CF)CC=C
InChIInChI=1S/C10H12F2O/c1-3-5-9(7-11)13-10(8-12)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyRIKMPCCMMFPXKJ-UHFFFAOYSA-N
MW186.20 g/mol
LogP3.78
Rot. Bonds6

About 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene

1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene (PubChem CID 87205929) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene.

Molecular Properties

Compound Name1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
PubChem CID87205929
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
SMILESC=CCC(=CF)OC(=CF)CC=C
InChIInChI=1S/C10H12F2O/c1-3-5-9(7-11)13-10(8-12)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyRIKMPCCMMFPXKJ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene?
The IUPAC name of 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene (CID 87205929) is 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene.
What is the SMILES notation for 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene?
The canonical SMILES for 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene is C=CCC(=CF)OC(=CF)CC=C.
What is the InChIKey of 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene?
The InChIKey is RIKMPCCMMFPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-5-9(7-11)13-10(8-12)6-4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene?
1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene has a molecular weight of 186.20 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene is sourced from PubChem (CID 87205929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).