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

C25H23F5O2 — CID 144734014

IUPAC(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(OC(F)(F)c3ccc(CCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C25H23F5O2/c1-5-7-16-8-10-18(11-9-16)25(29,30)32-19-13-17-12-15(4)23(20(26)14(3)6-2)31-24(17)22(28)21(19)27/h8-11,13H,3-7,12H2,1-2H3/b23-20-
InChIKeyZANUYFFEUMKDPI-ATJXCDBQSA-N
MW450.45 g/mol
LogP7.68
Rot. Bonds7

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

(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (PubChem CID 144734014) has the molecular formula C25H23F5O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.

Molecular Properties

Compound Name(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
PubChem CID144734014
Molecular FormulaC25H23F5O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(OC(F)(F)c3ccc(CCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C25H23F5O2/c1-5-7-16-8-10-18(11-9-16)25(29,30)32-19-13-17-12-15(4)23(20(26)14(3)6-2)31-24(17)22(28)21(19)27/h8-11,13H,3-7,12H2,1-2H3/b23-20-
InChIKeyZANUYFFEUMKDPI-ATJXCDBQSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene
CID 144734075
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
CID 144733925
(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-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-[(4-propylcyclohexyl)methoxy]-4H-chromene
CID 144734087
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
CID 144733918
(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)-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-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
CID 144733796
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733911
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
CID 144734079

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The IUPAC name of (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (CID 144734014) is (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.
What is the SMILES notation for (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The canonical SMILES for (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is C=C(CC)/C(F)=C1/Oc2c(cc(OC(F)(F)c3ccc(CCC)cc3)c(F)c2F)CC1=C.
What is the InChIKey of (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The InChIKey is ZANUYFFEUMKDPI-ATJXCDBQSA-N. The full InChI is InChI=1S/C25H23F5O2/c1-5-7-16-8-10-18(11-9-16)25(29,30)32-19-13-17-12-15(4)23(20(26)14(3)6-2)31-24(17)22(28)21(19)27/h8-11,13H,3-7,12H2,1-2H3/b23-20-.
What are the key properties of (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene has a molecular weight of 450.45 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144734014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).