N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide

C8H16F3NO3S — CID 106288430

IUPACN-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-6(4-2)7(13)5-12-16(14,15)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyDQYOMAKOVIURMH-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.22
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide

N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 106288430) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID106288430
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-6(4-2)7(13)5-12-16(14,15)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyDQYOMAKOVIURMH-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide (CID 106288430) is N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide is CCC(CC)C(O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DQYOMAKOVIURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-3-6(4-2)7(13)5-12-16(14,15)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide?
N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 106288430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).