2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one

C10H16F3NO — CID 79406296

IUPAC2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESCC1C(=O)CCN(CCC(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO/c1-7-8(2)14(5-3-9(7)15)6-4-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyBXNVIMLRVLZVEC-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds2

About 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one

2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one (PubChem CID 79406296) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one
PubChem CID79406296
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one
SMILESCC1C(=O)CCN(CCC(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO/c1-7-8(2)14(5-3-9(7)15)6-4-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyBXNVIMLRVLZVEC-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one (CID 79406296) is 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one is CC1C(=O)CCN(CCC(F)(F)F)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one?
The InChIKey is BXNVIMLRVLZVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7-8(2)14(5-3-9(7)15)6-4-10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one?
2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one has a molecular weight of 223.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one is sourced from PubChem (CID 79406296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).