2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol

C10H16F7NO3S — CID 86696851

IUPAC2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F7NO3S/c11-8(9(12,13)14,10(15,16)17)2-7-22(20,21)6-1-3-18-4-5-19/h18-19H,1-7H2
InChIKeyNWCPLKBTZWJILQ-UHFFFAOYSA-N
MW363.30 g/mol
LogP1.60
Rot. Bonds9

About 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol

2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol (PubChem CID 86696851) has the molecular formula C10H16F7NO3S and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol.

Molecular Properties

Compound Name2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol
PubChem CID86696851
Molecular FormulaC10H16F7NO3S
Molecular Weight363.30 g/mol
Exact Mass363.07
IUPAC Name2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol
SMILESO=S(=O)(CCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F7NO3S/c11-8(9(12,13)14,10(15,16)17)2-7-22(20,21)6-1-3-18-4-5-19/h18-19H,1-7H2
InChIKeyNWCPLKBTZWJILQ-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 51.60
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-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)ethanol
CID 86696813
3-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)propan-1-ol
CID 86696814
2-Methyl-1-({3-[(3,3,3-trifluoropropyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696815
3-({3-[(4,4,5,5,5-Pentafluoropentyl)sulphonyl]propyl}amino)propan-1-ol
CID 86696816
2-Methyl-1-({3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696818
N-(2-Methoxyethyl)-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 86696819
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
2-({3-[(4,4,5,5,5-Pentafluoropentyl)sulphonyl]propyl}amino)ethanol
CID 86696865

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol?
The IUPAC name of 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol (CID 86696851) is 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol.
What is the SMILES notation for 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol?
The canonical SMILES for 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol is O=S(=O)(CCCNCCO)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol?
The InChIKey is NWCPLKBTZWJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F7NO3S/c11-8(9(12,13)14,10(15,16)17)2-7-22(20,21)6-1-3-18-4-5-19/h18-19H,1-7H2.
What are the key properties of 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol?
2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol has a molecular weight of 363.30 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropylamino]ethanol is sourced from PubChem (CID 86696851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).