1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one

C10H16F3NO2 — CID 67402368

IUPAC1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)14-5-3-7(4-6-14)9(16)10(11,12)13/h7,9,16H,2-6H2,1H3
InChIKeyPPFJDMBVMGLXSY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds2

About 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one

1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 67402368) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID67402368
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)14-5-3-7(4-6-14)9(16)10(11,12)13/h7,9,16H,2-6H2,1H3
InChIKeyPPFJDMBVMGLXSY-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 67402368) is 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is PPFJDMBVMGLXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-8(15)14-5-3-7(4-6-14)9(16)10(11,12)13/h7,9,16H,2-6H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 67402368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).