1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine

C6H13F2NOS — CID 102870071

IUPAC1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine
SMILESCC(NCCS(C)=O)C(F)F
InChIInChI=1S/C6H13F2NOS/c1-5(6(7)8)9-3-4-11(2)10/h5-6,9H,3-4H2,1-2H3
InChIKeyGWMCIWFAKBHKLH-UHFFFAOYSA-N
MW185.24 g/mol
LogP0.61
Rot. Bonds5

About 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine

1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine (PubChem CID 102870071) has the molecular formula C6H13F2NOS and a molecular weight of 185.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine
PubChem CID102870071
Molecular FormulaC6H13F2NOS
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Name1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine
SMILESCC(NCCS(C)=O)C(F)F
InChIInChI=1S/C6H13F2NOS/c1-5(6(7)8)9-3-4-11(2)10/h5-6,9H,3-4H2,1-2H3
InChIKeyGWMCIWFAKBHKLH-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3,3-Trifluoropropylsulfinyl)butan-2-amine
CID 81194779
N-methyl-3-[(RS)-(3,3,3-trifluoropropyl)sulphinyl]propane-1-amine
CID 86696858
N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115905478
N-ethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 155411070
N-propan-2-yl-3-(trifluoromethylsulfonyl)propan-1-amine
CID 160406280
(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine
CID 166696989
2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine
CID 60916716
(2,2-Difluoroethyl)(2-methanesulfonylethyl)amine
CID 60922396
3,3,3-trifluoro-N-(2-methylsulfonylethyl)propan-1-amine
CID 63226177
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394
3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
CID 64629559
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 64629894

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine (CID 102870071) is 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine is CC(NCCS(C)=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine?
The InChIKey is GWMCIWFAKBHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NOS/c1-5(6(7)8)9-3-4-11(2)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine?
1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine has a molecular weight of 185.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine is sourced from PubChem (CID 102870071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).