1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene

C10H9F5OS — CID 156769036

IUPAC1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene
SMILESCSc1c(OCC(F)F)cccc1C(F)(F)F
InChIInChI=1S/C10H9F5OS/c1-17-9-6(10(13,14)15)3-2-4-7(9)16-5-8(11)12/h2-4,8H,5H2,1H3
InChIKeyRPLZLHIKHZTBES-UHFFFAOYSA-N
MW272.24 g/mol
LogP4.07
Rot. Bonds4

About 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene

1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene (PubChem CID 156769036) has the molecular formula C10H9F5OS and a molecular weight of 272.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene
PubChem CID156769036
Molecular FormulaC10H9F5OS
Molecular Weight272.24 g/mol
Exact Mass272.03
IUPAC Name1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene
SMILESCSc1c(OCC(F)F)cccc1C(F)(F)F
InChIInChI=1S/C10H9F5OS/c1-17-9-6(10(13,14)15)3-2-4-7(9)16-5-8(11)12/h2-4,8H,5H2,1H3
InChIKeyRPLZLHIKHZTBES-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene
CID 141247424
sodium 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzenesulfonate
CID 169437954
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
N-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfanyl-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 143257545
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol
CID 141018428
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
1-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]propan-1-one
CID 166640850
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene (CID 156769036) is 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene is CSc1c(OCC(F)F)cccc1C(F)(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene?
The InChIKey is RPLZLHIKHZTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5OS/c1-17-9-6(10(13,14)15)3-2-4-7(9)16-5-8(11)12/h2-4,8H,5H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene?
1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene has a molecular weight of 272.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 156769036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).