(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene

C24H27F3O2 — CID 144733911

IUPAC(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=CC1CCC(CCc2cc3c(c(F)c2F)O/C(=C(\F)C(=C)CC)C(=C)C3)CO1
InChIInChI=1S/C24H27F3O2/c1-5-14(3)20(25)23-15(4)11-18-12-17(21(26)22(27)24(18)29-23)9-7-16-8-10-19(6-2)28-13-16/h6,12,16,19H,2-5,7-11,13H2,1H3/b23-20-
InChIKeyCHKNQRQVWIUKDO-ATJXCDBQSA-N
MW404.47 g/mol
LogP6.52
Rot. Bonds6

About (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene

(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (PubChem CID 144733911) has the molecular formula C24H27F3O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.

Molecular Properties

Compound Name(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
PubChem CID144733911
Molecular FormulaC24H27F3O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=CC1CCC(CCc2cc3c(c(F)c2F)O/C(=C(\F)C(=C)CC)C(=C)C3)CO1
InChIInChI=1S/C24H27F3O2/c1-5-14(3)20(25)23-15(4)11-18-12-17(21(26)22(27)24(18)29-23)9-7-16-8-10-19(6-2)28-13-16/h6,12,16,19H,2-5,7-11,13H2,1H3/b23-20-
InChIKeyCHKNQRQVWIUKDO-ATJXCDBQSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.52
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)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
CID 144733925
(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)-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-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)-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
5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
CID 58535403
3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
CID 144733777
(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)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
CID 144733918

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The IUPAC name of (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (CID 144733911) is (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.
What is the SMILES notation for (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The canonical SMILES for (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is C=CC1CCC(CCc2cc3c(c(F)c2F)O/C(=C(\F)C(=C)CC)C(=C)C3)CO1.
What is the InChIKey of (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The InChIKey is CHKNQRQVWIUKDO-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H27F3O2/c1-5-14(3)20(25)23-15(4)11-18-12-17(21(26)22(27)24(18)29-23)9-7-16-8-10-19(6-2)28-13-16/h6,12,16,19H,2-5,7-11,13H2,1H3/b23-20-.
What are the key properties of (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene has a molecular weight of 404.47 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144733911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).