(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene

C23H20F4O2 — CID 144733918

About (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene

(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene (PubChem CID 144733918) has the molecular formula C23H20F4O2 and a molecular weight of 404.40 g/mol. Its IUPAC name is (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene.

Molecular Properties

• Compound Name: (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
• PubChem CID: 144733918
• Molecular Formula: C23H20F4O2
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.14
• IUPAC Name: (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
• SMILES: C=C(OC)/C(F)=C1/Oc2c(cc(-c3ccc(CCCF)cc3)c(F)c2F)CC1=C
• InChI: InChI=1S/C23H20F4O2/c1-13-11-17-12-18(16-8-6-15(7-9-16)5-4-10-24)20(26)21(27)23(17)29-22(13)19(25)14(2)28-3/h6-9,12H,1-2,4-5,10-11H2,3H3/b22-19-
• InChIKey: TVXAMIQEJLRWQF-QOCHGBHMSA-N
• XLogP: 6.37
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene?

The IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene (CID 144733918) is (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene.

What is the SMILES notation for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene?

The canonical SMILES for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene is C=C(OC)/C(F)=C1/Oc2c(cc(-c3ccc(CCCF)cc3)c(F)c2F)CC1=C.

What is the InChIKey of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene?

The InChIKey is TVXAMIQEJLRWQF-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H20F4O2/c1-13-11-17-12-18(16-8-6-15(7-9-16)5-4-10-24)20(26)21(27)23(17)29-22(13)19(25)14(2)28-3/h6-9,12H,1-2,4-5,10-11H2,3H3/b22-19-.

What are the key properties of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene?

(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene has a molecular weight of 404.40 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene is sourced from PubChem (CID 144733918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).