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

C8H17F2NO3S — CID 104860639

IUPAC3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol
SMILESCCS(=O)(=O)CC(C)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO3S/c1-3-15(13,14)4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyGMJKNLXFRCNZOR-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.03
Rot. Bonds7

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

3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 104860639) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol
PubChem CID104860639
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol
SMILESCCS(=O)(=O)CC(C)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO3S/c1-3-15(13,14)4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyGMJKNLXFRCNZOR-UHFFFAOYSA-N
XLogP0.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.03
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)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol (CID 104860639) is 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol is CCS(=O)(=O)CC(C)NCC(F)(F)CO.
What is the InChIKey of 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is GMJKNLXFRCNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c1-3-15(13,14)4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol?
3-(1-ethylsulfonylpropan-2-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 245.29 g/mol, XLogP of 0.03, 7 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)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).