2-(difluoromethylsulfanyl)-N-methylaniline

C8H9F2NS — CID 28573572

IUPAC2-(difluoromethylsulfanyl)-N-methylaniline
SMILESCNc1ccccc1SC(F)F
InChIInChI=1S/C8H9F2NS/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5,8,11H,1H3
InChIKeyWZBRAKUPBBIIFN-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.04
Rot. Bonds3

About 2-(difluoromethylsulfanyl)-N-methylaniline

2-(difluoromethylsulfanyl)-N-methylaniline (PubChem CID 28573572) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-methylaniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-methylaniline
PubChem CID28573572
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name2-(difluoromethylsulfanyl)-N-methylaniline
SMILESCNc1ccccc1SC(F)F
InChIInChI=1S/C8H9F2NS/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5,8,11H,1H3
InChIKeyWZBRAKUPBBIIFN-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(difluoromethylsulfanyl)phenyl]cyanamide
CID 62483070
4-N-[2-(difluoromethylsulfanyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80759343
4-N-[2-(difluoromethylsulfanyl)phenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80748948
N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 107020226
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
N-[2-(difluoromethylsulfanyl)phenyl]but-2-enamide
CID 78906718
2-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43095111
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
CID 107529067

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-methylaniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-methylaniline (CID 28573572) is 2-(difluoromethylsulfanyl)-N-methylaniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-methylaniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-methylaniline is CNc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-methylaniline?
The InChIKey is WZBRAKUPBBIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5,8,11H,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-methylaniline?
2-(difluoromethylsulfanyl)-N-methylaniline has a molecular weight of 189.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-methylaniline is sourced from PubChem (CID 28573572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).