1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene

C15H14F2OS — CID 132608190

IUPAC1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C15H14F2OS/c1-18-13-9-7-12(8-10-13)11-15(16,17)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQGTRMSADJZTNJT-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.62
Rot. Bonds5

About 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene

1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene (PubChem CID 132608190) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
PubChem CID132608190
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C15H14F2OS/c1-18-13-9-7-12(8-10-13)11-15(16,17)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQGTRMSADJZTNJT-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol
CID 11572951
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-[(Z)-4-bromo-1,1,1-trifluoro-3-phenylsulfanylbut-2-en-2-yl]-4-methoxybenzene
CID 101381812
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
1-methoxy-4-[(E)-3,3,3-trifluoro-2-phenyl-1-phenylsulfanylprop-1-enyl]benzene
CID 102466577
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene?
The IUPAC name of 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene (CID 132608190) is 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene is COc1ccc(CC(F)(F)Sc2ccccc2)cc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene?
The InChIKey is QGTRMSADJZTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c1-18-13-9-7-12(8-10-13)11-15(16,17)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene?
1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene has a molecular weight of 280.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene is sourced from PubChem (CID 132608190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).