2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol

C10H20F3NO3S — CID 86696815

IUPAC2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol
SMILESCC(C)(O)CNCCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-9(2,15)8-14-5-3-6-18(16,17)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeySWEOLFSCBJUUEC-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.10
Rot. Bonds8

About 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol

2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol (PubChem CID 86696815) has the molecular formula C10H20F3NO3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol
PubChem CID86696815
Molecular FormulaC10H20F3NO3S
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol
SMILESCC(C)(O)CNCCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-9(2,15)8-14-5-3-6-18(16,17)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeySWEOLFSCBJUUEC-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-({3-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]propyl}amino)ethan-1-ol
CID 86696851
2-Methyl-1-({3-[(RS)-(3,3,3-trifluoropropyl)sulphinyl]propyl}amino)propan-2-ol
CID 86696805
2-Methyl-1-({3-[(RS)-(4,4,5,5,5-pentafluoropentyl)sulphinyl]propyl}amino)propan-2-ol
CID 86696807
2-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)ethanol
CID 86696813
2-Methyl-1-({3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696818
2-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]ethanol
CID 86696835
(2S)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696837
(2R)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696838
2-[3-(4,4,4-Trifluorobutylsulfonyl)propylamino]ethanol
CID 86696839
2-[4-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]sulfonylbutylamino]ethanol
CID 86696852
1-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 88547182
1-[3-(3,3,3-Trifluoropropylsulfonyl)propylamino]butan-2-ol
CID 123736657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol (CID 86696815) is 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol is CC(C)(O)CNCCCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol?
The InChIKey is SWEOLFSCBJUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-9(2,15)8-14-5-3-6-18(16,17)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol?
2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol has a molecular weight of 291.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfonyl)propylamino]propan-2-ol is sourced from PubChem (CID 86696815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).