4-(difluoromethylsulfinyl)-N-methylaniline;ethane

C10H15F2NOS — CID 145395301

IUPAC4-(difluoromethylsulfinyl)-N-methylaniline;ethane
SMILESCC.CNc1ccc(S(=O)C(F)F)cc1
InChIInChI=1S/C8H9F2NOS.C2H6/c1-11-6-2-4-7(5-3-6)13(12)8(9)10;1-2/h2-5,8,11H,1H3;1-2H3
InChIKeyKUDDIRCXCHHYPY-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.08
Rot. Bonds3

About 4-(difluoromethylsulfinyl)-N-methylaniline;ethane

4-(difluoromethylsulfinyl)-N-methylaniline;ethane (PubChem CID 145395301) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(difluoromethylsulfinyl)-N-methylaniline;ethane.

Molecular Properties

Compound Name4-(difluoromethylsulfinyl)-N-methylaniline;ethane
PubChem CID145395301
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name4-(difluoromethylsulfinyl)-N-methylaniline;ethane
SMILESCC.CNc1ccc(S(=O)C(F)F)cc1
InChIInChI=1S/C8H9F2NOS.C2H6/c1-11-6-2-4-7(5-3-6)13(12)8(9)10;1-2/h2-5,8,11H,1H3;1-2H3
InChIKeyKUDDIRCXCHHYPY-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfinyl)-N-methylaniline;ethane?
The IUPAC name of 4-(difluoromethylsulfinyl)-N-methylaniline;ethane (CID 145395301) is 4-(difluoromethylsulfinyl)-N-methylaniline;ethane.
What is the SMILES notation for 4-(difluoromethylsulfinyl)-N-methylaniline;ethane?
The canonical SMILES for 4-(difluoromethylsulfinyl)-N-methylaniline;ethane is CC.CNc1ccc(S(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfinyl)-N-methylaniline;ethane?
The InChIKey is KUDDIRCXCHHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS.C2H6/c1-11-6-2-4-7(5-3-6)13(12)8(9)10;1-2/h2-5,8,11H,1H3;1-2H3.
What are the key properties of 4-(difluoromethylsulfinyl)-N-methylaniline;ethane?
4-(difluoromethylsulfinyl)-N-methylaniline;ethane has a molecular weight of 235.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfinyl)-N-methylaniline;ethane is sourced from PubChem (CID 145395301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).