1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone

C8H13F2NO2 — CID 130733246

IUPAC1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
SMILESCC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-6-2-3-11(7(13)4-12)5-8(6,9)10/h6,12H,2-5H2,1H3
InChIKeyUVRMKRLVOPFLRX-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds1

About 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone

1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone (PubChem CID 130733246) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
PubChem CID130733246
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
SMILESCC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-6-2-3-11(7(13)4-12)5-8(6,9)10/h6,12H,2-5H2,1H3
InChIKeyUVRMKRLVOPFLRX-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone (CID 130733246) is 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone is CC1CCN(C(=O)CO)CC1(F)F.
What is the InChIKey of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is UVRMKRLVOPFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-6-2-3-11(7(13)4-12)5-8(6,9)10/h6,12H,2-5H2,1H3.
What are the key properties of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone?
1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 193.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 130733246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).