3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol

C8H16F3NO3S — CID 115900814

IUPAC3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCS(=O)(=O)CC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-16(14,15)5-6(2)12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyFKQQKQNUFJSTEF-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.32
Rot. Bonds6

About 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol

3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 115900814) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID115900814
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCS(=O)(=O)CC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-3-16(14,15)5-6(2)12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyFKQQKQNUFJSTEF-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol (CID 115900814) is 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol is CCS(=O)(=O)CC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is FKQQKQNUFJSTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-3-16(14,15)5-6(2)12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol?
3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 263.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115900814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).