1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene

C24H16F8O — CID 118592670

IUPAC1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C24H16F8O/c1-2-3-4-14-5-7-15(8-6-14)17-10-12-19(22(27)21(17)26)24(31,32)33-16-9-11-18(20(25)13-16)23(28,29)30/h2,5-13H,1,3-4H2
InChIKeyIECVXGMAMVFGHA-UHFFFAOYSA-N
MW472.38 g/mol
LogP8.04
Rot. Bonds7

About 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene

1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene (PubChem CID 118592670) has the molecular formula C24H16F8O and a molecular weight of 472.38 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene
PubChem CID118592670
Molecular FormulaC24H16F8O
Molecular Weight472.38 g/mol
Exact Mass472.11
IUPAC Name1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C24H16F8O/c1-2-3-4-14-5-7-15(8-6-14)17-10-12-19(22(27)21(17)26)24(31,32)33-16-9-11-18(20(25)13-16)23(28,29)30/h2,5-13H,1,3-4H2
InChIKeyIECVXGMAMVFGHA-UHFFFAOYSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene 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

4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629
4-(4-but-3-enylphenyl)-1-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-2-fluorobenzene
CID 126626790
1-[2,3-difluoro-4-(4-propylphenyl)phenyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 118611915
5-[[4-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 129037337
1-(4-but-3-enylphenyl)-4-[2,2-difluoro-2-(3,4,5-trifluorophenoxy)ethoxy]-2,3-difluorobenzene
CID 118858629
1-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenoxy]methyl]-2,3-difluoro-4-methylbenzene
CID 129159536
1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118611892
5-[[4-(4-but-3-enyl-2-fluorophenyl)-2-fluorophenyl]-difluoromethoxy]-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene
CID 129037454
1-[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59329197
1-[(4-but-3-enylphenyl)-difluoromethoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118601260
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The IUPAC name of 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene (CID 118592670) is 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The canonical SMILES for 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene is C=CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The InChIKey is IECVXGMAMVFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F8O/c1-2-3-4-14-5-7-15(8-6-14)17-10-12-19(22(27)21(17)26)24(31,32)33-16-9-11-18(20(25)13-16)23(28,29)30/h2,5-13H,1,3-4H2.
What are the key properties of 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene?
1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene has a molecular weight of 472.38 g/mol, XLogP of 8.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2,3-difluorobenzene is sourced from PubChem (CID 118592670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).