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

C22H20F2OS — CID 162623271

IUPAC1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene
SMILESCOc1ccc(S[C@@H](C=C(F)F)CCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20F2OS/c1-25-18-10-13-19(14-11-18)26-20(15-22(23)24)12-9-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,10-11,13-15,20H,9,12H2,1H3/t20-/m1/s1
InChIKeyZYRQDNFGCVRSHP-HXUWFJFHSA-N
MW370.46 g/mol
LogP6.72
Rot. Bonds7

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

1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene (PubChem CID 162623271) has the molecular formula C22H20F2OS and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene
PubChem CID162623271
Molecular FormulaC22H20F2OS
Molecular Weight370.46 g/mol
Exact Mass370.12
IUPAC Name1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene
SMILESCOc1ccc(S[C@@H](C=C(F)F)CCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20F2OS/c1-25-18-10-13-19(14-11-18)26-20(15-22(23)24)12-9-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,10-11,13-15,20H,9,12H2,1H3/t20-/m1/s1
InChIKeyZYRQDNFGCVRSHP-HXUWFJFHSA-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

1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-2-(trifluoromethyl)benzene
CID 72188761
1-[(E)-2-(4-methoxyphenyl)sulfinylethenyl]-2-(trifluoromethyl)benzene
CID 72193347
2-[4-[4-(Trifluoromethoxy)phenyl]sulfonylcyclohexylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 122188545
1,4-Bis[(4-methoxyphenyl)sulfonylmethyl]naphthalene
CID 156015564
(4-Methoxyphenyl)(naphthalen-2-yl)sulfane
CID 14813922
1-(2,2-Diphenylethenylsulfanyl)-4-methoxybenzene
CID 156786997
2-(3-Methoxyphenyl)-4-[2-(2-methyl-1-naphthyl)3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methylthiophene
CID 101808896
1-[Bis(4-fluorophenyl)methylsulfanyl]-4-methoxybenzene
CID 134849133
1-fluoro-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
CID 134849369
1-(4-Fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 139249063
2-Fluoro-2-(4-methoxyphenyl)sulfanyl-1-naphthalen-1-ylethanone
CID 162404397
2-Fluoro-4-[1-(4-methoxyphenyl)sulfanylethyl]-1-phenylbenzene
CID 162411947

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene?
The IUPAC name of 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene (CID 162623271) is 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene?
The canonical SMILES for 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene is COc1ccc(S[C@@H](C=C(F)F)CCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene?
The InChIKey is ZYRQDNFGCVRSHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20F2OS/c1-25-18-10-13-19(14-11-18)26-20(15-22(23)24)12-9-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,10-11,13-15,20H,9,12H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene?
1-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-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-[(3R)-5,5-difluoro-3-(4-methoxyphenyl)sulfanylpent-4-enyl]naphthalene is sourced from PubChem (CID 162623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).