2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene

C9H10F2OS — CID 164894235

IUPAC2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
SMILESCCOc1c(F)ccc(SC)c1F
InChIInChI=1S/C9H10F2OS/c1-3-12-9-6(10)4-5-7(13-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyPFLFQHHEFDVHOR-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.09
Rot. Bonds3

About 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene

2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene (PubChem CID 164894235) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
PubChem CID164894235
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
SMILESCCOc1c(F)ccc(SC)c1F
InChIInChI=1S/C9H10F2OS/c1-3-12-9-6(10)4-5-7(13-2)8(9)11/h4-5H,3H2,1-2H3
InChIKeyPFLFQHHEFDVHOR-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164891294
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
3-ethoxy-2,4-difluorobenzenesulfonyl chloride
CID 86811459
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
CID 164893633
2-ethoxy-3,4-difluoroaniline
CID 22118017
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
CID 66518126
(2-ethoxy-3-methylsulfanylphenyl)methanol
CID 118269349

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene?
The IUPAC name of 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene (CID 164894235) is 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene.
What is the SMILES notation for 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene?
The canonical SMILES for 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene is CCOc1c(F)ccc(SC)c1F.
What is the InChIKey of 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene?
The InChIKey is PFLFQHHEFDVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c1-3-12-9-6(10)4-5-7(13-2)8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene?
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene has a molecular weight of 204.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene is sourced from PubChem (CID 164894235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).