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

C23H29F3O2 — CID 144733796

IUPAC(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
SMILESC=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)CCC(C)CC
InChIInChI=1S/C23H29F3O2/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/h12-14H,5-11H2,1-4H3/b22-19-
InChIKeyOLYUJDZYZNKCQL-QOCHGBHMSA-N
MW394.48 g/mol
LogP7.05
Rot. Bonds8

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

(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene (PubChem CID 144733796) has the molecular formula C23H29F3O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene.

Molecular Properties

Compound Name(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
PubChem CID144733796
Molecular FormulaC23H29F3O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
SMILESC=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)CCC(C)CC
InChIInChI=1S/C23H29F3O2/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/h12-14H,5-11H2,1-4H3/b22-19-
InChIKeyOLYUJDZYZNKCQL-QOCHGBHMSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
CID 144734079
(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane
CID 144733845
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(4-propylcyclohexyl)methoxy]-4H-chromene
CID 144734087
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
CID 144733925
(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144734014
6-[(E)-2,5-dimethylhept-4-enoxy]-2-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 144734050
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
CID 144733972
(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
CID 144733777
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohex-3-en-1-yl)ethenyl]-4H-chromene
CID 144733999
6-ethoxy-3,4,5-trifluoro-2-[[4-[(E)-pent-3-enyl]cyclohexyl]methoxy]-9H-xanthene
CID 118891059
2-ethoxy-3,4,5-trifluoro-6-(5-propyl-1,3-dioxan-2-yl)-9H-xanthene
CID 118891138
4-[(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluorophenol
CID 143875320

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene?
The IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene (CID 144733796) is (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene.
What is the SMILES notation for (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene?
The canonical SMILES for (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene is C=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)CCC(C)CC.
What is the InChIKey of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene?
The InChIKey is OLYUJDZYZNKCQL-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H29F3O2/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/h12-14H,5-11H2,1-4H3/b22-19-.
What are the key properties of (2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene?
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene has a molecular weight of 394.48 g/mol, XLogP of 7.05, 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-methylideneoctylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144733796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).