(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene

C24H21F3O2 — CID 144733777

IUPAC(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
SMILESC=CCCc1ccc(-c2cc3c(c(F)c2F)O/C(=C(\F)C(=C)OC)C(=C)C3)cc1
InChIInChI=1S/C24H21F3O2/c1-5-6-7-16-8-10-17(11-9-16)19-13-18-12-14(2)23(20(25)15(3)28-4)29-24(18)22(27)21(19)26/h5,8-11,13H,1-3,6-7,12H2,4H3/b23-20-
InChIKeyUYAJMIULUNTDKT-ATJXCDBQSA-N
MW398.42 g/mol
LogP6.58
Rot. Bonds6

About (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene

(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene (PubChem CID 144733777) has the molecular formula C24H21F3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene.

Molecular Properties

Compound Name(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
PubChem CID144733777
Molecular FormulaC24H21F3O2
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
SMILESC=CCCc1ccc(-c2cc3c(c(F)c2F)O/C(=C(\F)C(=C)OC)C(=C)C3)cc1
InChIInChI=1S/C24H21F3O2/c1-5-6-7-16-8-10-17(11-9-16)19-13-18-12-14(2)23(20(25)15(3)28-4)29-24(18)22(27)21(19)26/h5,8-11,13H,1-3,6-7,12H2,4H3/b23-20-
InChIKeyUYAJMIULUNTDKT-ATJXCDBQSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
CID 144733918
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene
CID 144734075
(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733718
(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)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
CID 144733972
(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
3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
CID 144733925
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733911
2,3-difluoro-1-[4-[(4E)-5-fluoro-6-methoxy-3-methylidenehepta-4,6-dienyl]phenyl]-4-(4-methoxyphenyl)benzene
CID 143909649
fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene
CID 144734058

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene?
The IUPAC name of (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene (CID 144733777) is (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene.
What is the SMILES notation for (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene?
The canonical SMILES for (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene is C=CCCc1ccc(-c2cc3c(c(F)c2F)O/C(=C(\F)C(=C)OC)C(=C)C3)cc1.
What is the InChIKey of (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene?
The InChIKey is UYAJMIULUNTDKT-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H21F3O2/c1-5-6-7-16-8-10-17(11-9-16)19-13-18-12-14(2)23(20(25)15(3)28-4)29-24(18)22(27)21(19)26/h5,8-11,13H,1-3,6-7,12H2,4H3/b23-20-.
What are the key properties of (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene?
(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene has a molecular weight of 398.42 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144733777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).