N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H20F3NO3S — CID 83059714

IUPACN-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-3-9(15,4-2)8-14-18(16,17)7-5-6-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyQPBSTNIQJJWNPQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.80
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059714) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059714
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-3-9(15,4-2)8-14-18(16,17)7-5-6-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyQPBSTNIQJJWNPQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059714) is N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(O)(CC)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is QPBSTNIQJJWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-3-9(15,4-2)8-14-18(16,17)7-5-6-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).