2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine

C5H10F5N3O2S — CID 114811374

IUPAC2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESNCC(F)(F)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F5N3O2S/c6-4(7,1-11)2-12-16(14,15)13-3-5(8,9)10/h12-13H,1-3,11H2
InChIKeyPMVBFCWHUILOAR-UHFFFAOYSA-N
MW271.21 g/mol
LogP-0.43
Rot. Bonds6

About 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine

2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (PubChem CID 114811374) has the molecular formula C5H10F5N3O2S and a molecular weight of 271.21 g/mol. Its IUPAC name is 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
PubChem CID114811374
Molecular FormulaC5H10F5N3O2S
Molecular Weight271.21 g/mol
Exact Mass271.04
IUPAC Name2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESNCC(F)(F)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F5N3O2S/c6-4(7,1-11)2-12-16(14,15)13-3-5(8,9)10/h12-13H,1-3,11H2
InChIKeyPMVBFCWHUILOAR-UHFFFAOYSA-N
XLogP-0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809835
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine
CID 114812998
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383948
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (CID 114811374) is 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is NCC(F)(F)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The InChIKey is PMVBFCWHUILOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F5N3O2S/c6-4(7,1-11)2-12-16(14,15)13-3-5(8,9)10/h12-13H,1-3,11H2.
What are the key properties of 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine has a molecular weight of 271.21 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 114811374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).