(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

C11H13F5N2O2S — CID 124628456

IUPAC(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCC[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H13F5N2O2S/c1-2-10(8-4-3-7(12)5-9(8)13)18-21(19,20)17-6-11(14,15)16/h3-5,10,17-18H,2,6H2,1H3/t10-/m1/s1
InChIKeyVEONNFJETBUPHD-SNVBAGLBSA-N
MW332.29 g/mol
LogP2.40
Rot. Bonds6

About (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (PubChem CID 124628456) has the molecular formula C11H13F5N2O2S and a molecular weight of 332.29 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
PubChem CID124628456
Molecular FormulaC11H13F5N2O2S
Molecular Weight332.29 g/mol
Exact Mass332.06
IUPAC Name(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCC[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C11H13F5N2O2S/c1-2-10(8-4-3-7(12)5-9(8)13)18-21(19,20)17-6-11(14,15)16/h3-5,10,17-18H,2,6H2,1H3/t10-/m1/s1
InChIKeyVEONNFJETBUPHD-SNVBAGLBSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340002
methyl 2-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892520
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
CID 115717252
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
4-fluoro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114805323

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (CID 124628456) is (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is CC[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The InChIKey is VEONNFJETBUPHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F5N2O2S/c1-2-10(8-4-3-7(12)5-9(8)13)18-21(19,20)17-6-11(14,15)16/h3-5,10,17-18H,2,6H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is sourced from PubChem (CID 124628456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).