2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol

C5H9F5N2O3S — CID 106170327

IUPAC2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC(F)(F)CO
InChIInChI=1S/C5H9F5N2O3S/c6-4(7,3-13)1-11-16(14,15)12-2-5(8,9)10/h11-13H,1-3H2
InChIKeyGJZYHPVKXKWXRQ-UHFFFAOYSA-N
MW272.20 g/mol
LogP-0.40
Rot. Bonds6

About 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol

2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol (PubChem CID 106170327) has the molecular formula C5H9F5N2O3S and a molecular weight of 272.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
PubChem CID106170327
Molecular FormulaC5H9F5N2O3S
Molecular Weight272.20 g/mol
Exact Mass272.03
IUPAC Name2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC(F)(F)CO
InChIInChI=1S/C5H9F5N2O3S/c6-4(7,3-13)1-11-16(14,15)12-2-5(8,9)10/h11-13H,1-3H2
InChIKeyGJZYHPVKXKWXRQ-UHFFFAOYSA-N
XLogP-0.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
CID 106178272
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809835
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 104858688
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
CID 106543952

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol (CID 106170327) is 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol is O=S(=O)(NCC(F)(F)F)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The InChIKey is GJZYHPVKXKWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F5N2O3S/c6-4(7,3-13)1-11-16(14,15)12-2-5(8,9)10/h11-13H,1-3H2.
What are the key properties of 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol has a molecular weight of 272.20 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 106170327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).