1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene

C22H20F2OS — CID 162623284

IUPAC1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene
SMILESCOc1ccc(S/C(=C\CCc2cccc3ccccc23)C(F)F)cc1
InChIInChI=1S/C22H20F2OS/c1-25-18-12-14-19(15-13-18)26-21(22(23)24)11-5-9-17-8-4-7-16-6-2-3-10-20(16)17/h2-4,6-8,10-15,22H,5,9H2,1H3/b21-11-
InChIKeyIOJZHPVUTFNZIV-NHDPSOOVSA-N
MW370.46 g/mol
LogP6.72
Rot. Bonds7

About 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene

1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene (PubChem CID 162623284) has the molecular formula C22H20F2OS and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene
PubChem CID162623284
Molecular FormulaC22H20F2OS
Molecular Weight370.46 g/mol
Exact Mass370.12
IUPAC Name1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene
SMILESCOc1ccc(S/C(=C\CCc2cccc3ccccc23)C(F)F)cc1
InChIInChI=1S/C22H20F2OS/c1-25-18-12-14-19(15-13-18)26-21(22(23)24)11-5-9-17-8-4-7-16-6-2-3-10-20(16)17/h2-4,6-8,10-15,22H,5,9H2,1H3/b21-11-
InChIKeyIOJZHPVUTFNZIV-NHDPSOOVSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bis (4-methylphenyl)-
CID 140202473
1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
1-[(E)-2-(4-methoxyphenyl)sulfinylethenyl]-2-(trifluoromethyl)benzene
CID 72193347
1,4-Bis[(4-methoxyphenyl)sulfonylmethyl]naphthalene
CID 156015564
(1Z)-1-[(4-methoxyphenyl)methylidene]-3-(trifluoromethyl)isothiochromene
CID 101576355
1-((4-Methoxyphenyl)thio)-4-(trifluoromethyl)benzene
CID 11289096
(4-Methoxyphenyl)(naphthalen-2-yl)sulfane
CID 14813922
1-(2,2-Diphenylethenylsulfanyl)-4-methoxybenzene
CID 156786997
1-Methoxy-4-[2-(trifluoromethyl)phenyl]sulfanylbenzene
CID 22761250
2-(4-Methoxyphenyl)sulfanyl-1,3-dimethylbenzene
CID 21680553
2-(3-Methoxyphenyl)-4-[2-(2-methyl-1-naphthyl)3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methylthiophene
CID 101808896
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
CID 102218720

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene (CID 162623284) is 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene is COc1ccc(S/C(=C\CCc2cccc3ccccc23)C(F)F)cc1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene?
The InChIKey is IOJZHPVUTFNZIV-NHDPSOOVSA-N. The full InChI is InChI=1S/C22H20F2OS/c1-25-18-12-14-19(15-13-18)26-21(22(23)24)11-5-9-17-8-4-7-16-6-2-3-10-20(16)17/h2-4,6-8,10-15,22H,5,9H2,1H3/b21-11-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene?
1-[(Z)-5,5-difluoro-4-(4-methoxyphenyl)sulfanylpent-3-enyl]naphthalene has a molecular weight of 370.46 g/mol, XLogP of 6.72, 7 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-methoxyphenyl)sulfanylpent-3-enyl]naphthalene is sourced from PubChem (CID 162623284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).