2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one

C8H14F2N2O2 — CID 74422085

IUPAC2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one
SMILESNC(CO)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10)1-3-12(4-2-8)7(14)6(11)5-13/h6,13H,1-5,11H2
InChIKeyYTVFMAHSJUJBHK-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.44
Rot. Bonds2

About 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one

2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one (PubChem CID 74422085) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one
PubChem CID74422085
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one
SMILESNC(CO)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10)1-3-12(4-2-8)7(14)6(11)5-13/h6,13H,1-5,11H2
InChIKeyYTVFMAHSJUJBHK-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one (CID 74422085) is 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one is NC(CO)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one?
The InChIKey is YTVFMAHSJUJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10)1-3-12(4-2-8)7(14)6(11)5-13/h6,13H,1-5,11H2.
What are the key properties of 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one?
2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one has a molecular weight of 208.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,4-difluoropiperidin-1-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 74422085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).