1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene

C25H19F7O — CID 118611892

IUPAC1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(/C(F)=C/CF)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C25H19F7O/c1-2-3-15-4-6-16(7-5-15)18-10-11-20(24(30)23(18)29)25(31,32)33-17-8-9-19(22(28)14-17)21(27)12-13-26/h4-12,14H,2-3,13H2,1H3/b21-12-
InChIKeyBQILYIADGRIMER-MTJSOVHGSA-N
MW468.41 g/mol
LogP8.13
Rot. Bonds8

About 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene

1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene (PubChem CID 118611892) has the molecular formula C25H19F7O and a molecular weight of 468.41 g/mol. Its IUPAC name is 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene
PubChem CID118611892
Molecular FormulaC25H19F7O
Molecular Weight468.41 g/mol
Exact Mass468.13
IUPAC Name1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(/C(F)=C/CF)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C25H19F7O/c1-2-3-15-4-6-16(7-5-15)18-10-11-20(24(30)23(18)29)25(31,32)33-17-8-9-19(22(28)14-17)21(27)12-13-26/h4-12,14H,2-3,13H2,1H3/b21-12-
InChIKeyBQILYIADGRIMER-MTJSOVHGSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629
1-[2,3-difluoro-4-(4-propylphenyl)phenyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 118611915
1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 118592670
2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene
CID 118858532
1-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-4-(2,3-difluoro-4-propylphenyl)-2,3-difluorobenzene
CID 118592657
5-[4-[difluoro-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59327968
5-[[4-[(E)-1,2-difluoro-2-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]ethenyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 59328936
1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 129159302
5-[4-[4-[difluoro-[2-fluoro-4-[(E)-2-(4-pentylphenyl)ethenyl]phenyl]methoxy]-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59329136
1-[4-[(3,4-difluorophenoxy)-difluoromethyl]cyclohexyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118601479
1-[difluoro-[3-fluoro-4-(4-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-methylbenzene
CID 129159452
1-(4-decylphenyl)-2,3-difluoro-4-[(E)-1-fluoronon-1-enyl]benzene
CID 70027206

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene (CID 118611892) is 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(/C(F)=C/CF)c(F)c3)c(F)c2F)cc1.
What is the InChIKey of 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene?
The InChIKey is BQILYIADGRIMER-MTJSOVHGSA-N. The full InChI is InChI=1S/C25H19F7O/c1-2-3-15-4-6-16(7-5-15)18-10-11-20(24(30)23(18)29)25(31,32)33-17-8-9-19(22(28)14-17)21(27)12-13-26/h4-12,14H,2-3,13H2,1H3/b21-12-.
What are the key properties of 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene?
1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene has a molecular weight of 468.41 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 118611892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).