(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene

C26H27F3O — CID 144734075

IUPAC(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(CCCCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C26H27F3O/c1-5-7-8-9-18-10-12-19(13-11-18)21-15-20-14-17(4)25(22(27)16(3)6-2)30-26(20)24(29)23(21)28/h10-13,15H,3-9,14H2,1-2H3/b25-22-
InChIKeyYNNGQQLHDZGDFG-LVWGJNHUSA-N
MW412.50 g/mol
LogP8.00
Rot. Bonds7

About (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene

(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene (PubChem CID 144734075) has the molecular formula C26H27F3O and a molecular weight of 412.50 g/mol. Its IUPAC name is (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene.

Molecular Properties

Compound Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene
PubChem CID144734075
Molecular FormulaC26H27F3O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(CCCCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C26H27F3O/c1-5-7-8-9-18-10-12-19(13-11-18)21-15-20-14-17(4)25(22(27)16(3)6-2)30-26(20)24(29)23(21)28/h10-13,15H,3-9,14H2,1-2H3/b25-22-
InChIKeyYNNGQQLHDZGDFG-LVWGJNHUSA-N
XLogP8.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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)-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)-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)-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-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
(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
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-(4-decylphenyl)-2,3-difluoro-4-[(E)-1-fluoronon-1-enyl]benzene
CID 70027206
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(4-propylcyclohexyl)methoxy]-4H-chromene
CID 144734087
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene?
The IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene (CID 144734075) is (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene.
What is the SMILES notation for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene?
The canonical SMILES for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene is C=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(CCCCC)cc3)c(F)c2F)CC1=C.
What is the InChIKey of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene?
The InChIKey is YNNGQQLHDZGDFG-LVWGJNHUSA-N. The full InChI is InChI=1S/C26H27F3O/c1-5-7-8-9-18-10-12-19(13-11-18)21-15-20-14-17(4)25(22(27)16(3)6-2)30-26(20)24(29)23(21)28/h10-13,15H,3-9,14H2,1-2H3/b25-22-.
What are the key properties of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene?
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene has a molecular weight of 412.50 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-(4-pentylphenyl)-4H-chromene is sourced from PubChem (CID 144734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).