1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene

C24H21F3OS — CID 162623324

IUPAC1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESFc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1
InChIInChI=1S/C24H21F3OS/c25-20-11-15-22(16-12-20)29-23(24(26)27)8-4-7-18-9-13-21(14-10-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-
InChIKeyIKLZLNVPHKSZDB-NYAPKIOYSA-N
MW414.49 g/mol
LogP7.28
Rot. Bonds9

About 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene

1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 162623324) has the molecular formula C24H21F3OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
PubChem CID162623324
Molecular FormulaC24H21F3OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESFc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1
InChIInChI=1S/C24H21F3OS/c25-20-11-15-22(16-12-20)29-23(24(26)27)8-4-7-18-9-13-21(14-10-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-
InChIKeyIKLZLNVPHKSZDB-NYAPKIOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
US9771320, Example 13
CID 118220919
3-(4-Fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
CID 5525151
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
US9771320, Example 132
CID 118220779
US9771320, Example 133
CID 118220788
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
1,1,1-Trifluoro-3-[4-(4-phenylphenoxy)butylsulfanyl]propan-2-one
CID 44343095
US9771320, Example 134
CID 118220790
Benzene, 1-methoxy-4-(1-(phenylthio)pentyl)-
CID 208881
Ethane, 1-(4-methoxyphenyl)-1-phenylthio-
CID 3045428

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (CID 162623324) is 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is Fc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is IKLZLNVPHKSZDB-NYAPKIOYSA-N. The full InChI is InChI=1S/C24H21F3OS/c25-20-11-15-22(16-12-20)29-23(24(26)27)8-4-7-18-9-13-21(14-10-18)28-17-19-5-2-1-3-6-19/h1-3,5-6,8-16,24H,4,7,17H2/b23-8-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene has a molecular weight of 414.49 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5,5-difluoro-4-(4-fluorophenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).