(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane

C26H35F3O2 — CID 144733845

IUPAC(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane
SMILESC=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)C/C=C(\C)CC.CCC
InChIInChI=1S/C23H27F3O2.C3H8/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;1-3-2/h9,12,14H,5-8,10-11H2,1-4H3;3H2,1-2H3/b13-9+,22-19-;
InChIKeyLBGHZQWDGCLFAF-UJCWSAARSA-N
MW436.56 g/mol
LogP8.39
Rot. Bonds7

About (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane

(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane (PubChem CID 144733845) has the molecular formula C26H35F3O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane.

Molecular Properties

Compound Name(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane
PubChem CID144733845
Molecular FormulaC26H35F3O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane
SMILESC=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)C/C=C(\C)CC.CCC
InChIInChI=1S/C23H27F3O2.C3H8/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;1-3-2/h9,12,14H,5-8,10-11H2,1-4H3;3H2,1-2H3/b13-9+,22-19-;
InChIKeyLBGHZQWDGCLFAF-UJCWSAARSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
CID 144733796
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
CID 144734079
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-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
CID 144733925
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(4-propylcyclohexyl)methoxy]-4H-chromene
CID 144734087
(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144734014
(2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene
CID 144733915
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733911
(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
(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
6-ethoxy-3,4,5-trifluoro-2-[[4-[(E)-pent-3-enyl]cyclohexyl]methoxy]-9H-xanthene
CID 118891059

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane?
The IUPAC name of (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane (CID 144733845) is (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane.
What is the SMILES notation for (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane?
The canonical SMILES for (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane is C=C1Cc2cc(OCC)c(F)c(F)c2O/C1=C(\F)C(=C)C(C)C/C=C(\C)CC.CCC.
What is the InChIKey of (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane?
The InChIKey is LBGHZQWDGCLFAF-UJCWSAARSA-N. The full InChI is InChI=1S/C23H27F3O2.C3H8/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;1-3-2/h9,12,14H,5-8,10-11H2,1-4H3;3H2,1-2H3/b13-9+,22-19-;.
What are the key properties of (2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane?
(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane has a molecular weight of 436.56 g/mol, XLogP of 8.39, 7 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-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane is sourced from PubChem (CID 144733845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).