(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane

C10H19F2NO2 — CID 142562134

IUPAC(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane
SMILESCC.C[C@H](O)C(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2.C2H6/c1-6(12)7(13)11-4-2-3-8(9,10)5-11;1-2/h6,12H,2-5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeySPPVIKUJVSEWJC-RGMNGODLSA-N
MW223.26 g/mol
LogP1.65
Rot. Bonds1

About (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane

(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane (PubChem CID 142562134) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane
PubChem CID142562134
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane
SMILESCC.C[C@H](O)C(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2.C2H6/c1-6(12)7(13)11-4-2-3-8(9,10)5-11;1-2/h6,12H,2-5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeySPPVIKUJVSEWJC-RGMNGODLSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane?
The IUPAC name of (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane (CID 142562134) is (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane.
What is the SMILES notation for (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane?
The canonical SMILES for (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane is CC.C[C@H](O)C(=O)N1CCCC(F)(F)C1.
What is the InChIKey of (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane?
The InChIKey is SPPVIKUJVSEWJC-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13F2NO2.C2H6/c1-6(12)7(13)11-4-2-3-8(9,10)5-11;1-2/h6,12H,2-5H2,1H3;1-2H3/t6-;/m0./s1.
What are the key properties of (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane?
(2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane has a molecular weight of 223.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoropiperidin-1-yl)-2-hydroxypropan-1-one;ethane is sourced from PubChem (CID 142562134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).