1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene

C18H18F2O3S — CID 162623283

IUPAC1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)/C(=C\CCc2ccccc2)C(F)F)cc1
InChIInChI=1S/C18H18F2O3S/c1-23-15-10-12-16(13-11-15)24(21,22)17(18(19)20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13,18H,5,8H2,1H3/b17-9-
InChIKeyXYIYJXMCQOXSFN-MFOYZWKCSA-N
MW352.40 g/mol
LogP4.25
Rot. Bonds7

About 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene

1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene (PubChem CID 162623283) has the molecular formula C18H18F2O3S and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene
PubChem CID162623283
Molecular FormulaC18H18F2O3S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene
SMILESCOc1ccc(S(=O)(=O)/C(=C\CCc2ccccc2)C(F)F)cc1
InChIInChI=1S/C18H18F2O3S/c1-23-15-10-12-16(13-11-15)24(21,22)17(18(19)20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13,18H,5,8H2,1H3/b17-9-
InChIKeyXYIYJXMCQOXSFN-MFOYZWKCSA-N
XLogP4.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
1-Methyl-3-{4-[(4-methylphenyl)sulfonyl]phenoxy}benzene
CID 786799
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
5-(3-Fluoro-4-methoxy-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-ene
CID 10571335
6-[4-(Methylsulfonyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]spiro[2.4]hept-5-ene
CID 10597571
Bis(4-methoxyphenyl) sulfone
CID 238615
2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
CID 345609
Bis(4-methoxyphenyl) sulfoxide
CID 238614
Bis (4-methylphenyl)-
CID 140202473
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
CID 14566332

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene (CID 162623283) is 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene is COc1ccc(S(=O)(=O)/C(=C\CCc2ccccc2)C(F)F)cc1.
What is the InChIKey of 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene?
The InChIKey is XYIYJXMCQOXSFN-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H18F2O3S/c1-23-15-10-12-16(13-11-15)24(21,22)17(18(19)20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-13,18H,5,8H2,1H3/b17-9-.
What are the key properties of 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene?
1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene has a molecular weight of 352.40 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,1-difluoro-5-phenylpent-2-en-2-yl]sulfonyl-4-methoxybenzene is sourced from PubChem (CID 162623283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).