1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene

C25H21F5OS — CID 162623333

IUPAC1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F5OS/c26-24(27)23(32-22-15-11-20(12-16-22)25(28,29)30)8-4-7-18-9-13-21(14-10-18)31-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-
InChIKeyXRJDGUZTHKVIGL-NYAPKIOYSA-N
MW464.50 g/mol
LogP8.16
Rot. Bonds9

About 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene

1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene (PubChem CID 162623333) has the molecular formula C25H21F5OS and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene
PubChem CID162623333
Molecular FormulaC25H21F5OS
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F5OS/c26-24(27)23(32-22-15-11-20(12-16-22)25(28,29)30)8-4-7-18-9-13-21(14-10-18)31-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-
InChIKeyXRJDGUZTHKVIGL-NYAPKIOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene 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

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
Bis (4-methylphenyl)-
CID 140202473
S-(4-methylphenyl) (4-methylphenoxy)ethanethioate
CID 799745
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
4-Trifluoromethylthiobenzyl 4-trifluoromethylsulfonylphenyl ether
CID 18185327
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-((2-(4-(ethylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067203
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
1-methoxy-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70695191
Benzene, 1-methoxy-4-(1-(phenylthio)propyl)-
CID 3045429
p-(1-(p-Tolylthio)butyl)anisole
CID 3045430
Benzene, 1-methoxy-4-(1-(phenylthio)butyl)-
CID 3045432

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene (CID 162623333) is 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene is FC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is XRJDGUZTHKVIGL-NYAPKIOYSA-N. The full InChI is InChI=1S/C25H21F5OS/c26-24(27)23(32-22-15-11-20(12-16-22)25(28,29)30)8-4-7-18-9-13-21(14-10-18)31-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-.
What are the key properties of 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene?
1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 464.50 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,1-difluoro-5-(4-phenylmethoxyphenyl)pent-2-en-2-yl]sulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).