(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene

C23H27F3O2 — CID 144734079

About (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene

(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene (PubChem CID 144734079) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene.

Molecular Properties

• Compound Name: (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
• PubChem CID: 144734079
• Molecular Formula: C23H27F3O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
• SMILES: C=CC(C)CCC(C)C(=C)/C(F)=C1/Oc2c(cc(OCC)c(F)c2F)CC1=C
• InChI: InChI=1S/C23H27F3O2/c1-7-13(3)9-10-14(4)16(6)19(24)22-15(5)11-17-12-18(27-8-2)20(25)21(26)23(17)28-22/h7,12-14H,1,5-6,8-11H2,2-4H3/b22-19-
• InChIKey: HXLOMZOVQQUEIB-QOCHGBHMSA-N
• XLogP: 6.83
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene?

The IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene (CID 144734079) is (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene.

What is the SMILES notation for (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene?

The canonical SMILES for (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene is C=CC(C)CCC(C)C(=C)/C(F)=C1/Oc2c(cc(OCC)c(F)c2F)CC1=C.

What is the InChIKey of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene?

The InChIKey is HXLOMZOVQQUEIB-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-7-13(3)9-10-14(4)16(6)19(24)22-15(5)11-17-12-18(27-8-2)20(25)21(26)23(17)28-22/h7,12-14H,1,5-6,8-11H2,2-4H3/b22-19-.

What are the key properties of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene?

(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene has a molecular weight of 392.46 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144734079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).