(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene

C25H29F3O2 — CID 144733972

IUPAC(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
SMILESC=C(OC)/C(F)=C1/Oc2c(cc(/C=C/C3CCC(CCC)CC3)c(F)c2F)CC1=C
InChIInChI=1S/C25H29F3O2/c1-5-6-17-7-9-18(10-8-17)11-12-19-14-20-13-15(2)24(21(26)16(3)29-4)30-25(20)23(28)22(19)27/h11-12,14,17-18H,2-3,5-10,13H2,1,4H3/b12-11+,24-21-
InChIKeyDFIGWGPPZWGUAW-OKCWMKPZSA-N
MW418.50 g/mol
LogP7.42
Rot. Bonds6

About (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene

(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene (PubChem CID 144733972) has the molecular formula C25H29F3O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene.

Molecular Properties

Compound Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
PubChem CID144733972
Molecular FormulaC25H29F3O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
SMILESC=C(OC)/C(F)=C1/Oc2c(cc(/C=C/C3CCC(CCC)CC3)c(F)c2F)CC1=C
InChIInChI=1S/C25H29F3O2/c1-5-6-17-7-9-18(10-8-17)11-12-19-14-20-13-15(2)24(21(26)16(3)29-4)30-25(20)23(28)22(19)27/h11-12,14,17-18H,2-3,5-10,13H2,1,4H3/b12-11+,24-21-
InChIKeyDFIGWGPPZWGUAW-OKCWMKPZSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-methylidenebutylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohex-3-en-1-yl)ethenyl]-4H-chromene
CID 144733999
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 72563908
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
CID 118891426
(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-methoxyprop-2-enylidene)-6-[4-(3-fluoropropyl)phenyl]-3-methylidene-4H-chromene
CID 144733918
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733911
(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733718
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
CID 144734079
(2Z)-6-ethoxy-7,8-difluoro-2-[(E)-1-fluoro-3,6-dimethyl-2-methylideneoct-5-enylidene]-3-methylidene-4H-chromene;propane
CID 144733845
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene?
The IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene (CID 144733972) is (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene.
What is the SMILES notation for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene?
The canonical SMILES for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene is C=C(OC)/C(F)=C1/Oc2c(cc(/C=C/C3CCC(CCC)CC3)c(F)c2F)CC1=C.
What is the InChIKey of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene?
The InChIKey is DFIGWGPPZWGUAW-OKCWMKPZSA-N. The full InChI is InChI=1S/C25H29F3O2/c1-5-6-17-7-9-18(10-8-17)11-12-19-14-20-13-15(2)24(21(26)16(3)29-4)30-25(20)23(28)22(19)27/h11-12,14,17-18H,2-3,5-10,13H2,1,4H3/b12-11+,24-21-.
What are the key properties of (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene?
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene has a molecular weight of 418.50 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene is sourced from PubChem (CID 144733972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).