4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid

C10H12F2O4 — CID 87897811

IUPAC4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid
SMILESC=CC(F)OC(=O)C(CC(=O)O)C(F)C=C
InChIInChI=1S/C10H12F2O4/c1-3-7(11)6(5-9(13)14)10(15)16-8(12)4-2/h3-4,6-8H,1-2,5H2,(H,13,14)
InChIKeyDYPFBDLKJSGNRY-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.63
Rot. Bonds7

About 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid

4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid (PubChem CID 87897811) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid.

Molecular Properties

Compound Name4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid
PubChem CID87897811
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid
SMILESC=CC(F)OC(=O)C(CC(=O)O)C(F)C=C
InChIInChI=1S/C10H12F2O4/c1-3-7(11)6(5-9(13)14)10(15)16-8(12)4-2/h3-4,6-8H,1-2,5H2,(H,13,14)
InChIKeyDYPFBDLKJSGNRY-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid?
The IUPAC name of 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid (CID 87897811) is 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid.
What is the SMILES notation for 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid?
The canonical SMILES for 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid is C=CC(F)OC(=O)C(CC(=O)O)C(F)C=C.
What is the InChIKey of 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid?
The InChIKey is DYPFBDLKJSGNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4/c1-3-7(11)6(5-9(13)14)10(15)16-8(12)4-2/h3-4,6-8H,1-2,5H2,(H,13,14).
What are the key properties of 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid?
4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid has a molecular weight of 234.20 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1-fluoroprop-2-enoxycarbonyl)hex-5-enoic acid is sourced from PubChem (CID 87897811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).