2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine

C11H15F2NO2S — CID 105425671

IUPAC2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine
SMILESCC(C)S(=O)(=O)c1cccc(C(F)(F)CN)c1
InChIInChI=1S/C11H15F2NO2S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8H,7,14H2,1-2H3
InChIKeyGJXWOYXTRIXQSW-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.92
Rot. Bonds4

About 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine

2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine (PubChem CID 105425671) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine
PubChem CID105425671
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine
SMILESCC(C)S(=O)(=O)c1cccc(C(F)(F)CN)c1
InChIInChI=1S/C11H15F2NO2S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8H,7,14H2,1-2H3
InChIKeyGJXWOYXTRIXQSW-UHFFFAOYSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
CID 105425792
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
CID 105424721
1-(1-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
CID 140553640
3-(2-amino-1,1-difluoroethyl)benzoic acid
CID 154878474
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
3-propan-2-ylsulfonylphenol
CID 23588863
3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid
CID 43351604
ethyl 2-[3-(trifluoromethyl)phenyl]sulfonylbutanoate
CID 64662891
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
2,4-diamino-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926931
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 83236530
2-(3-tert-butylphenyl)sulfonylpropanoic acid
CID 70809975

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine (CID 105425671) is 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine is CC(C)S(=O)(=O)c1cccc(C(F)(F)CN)c1.
What is the InChIKey of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine?
The InChIKey is GJXWOYXTRIXQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine?
2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine has a molecular weight of 263.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105425671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).