4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one

C10H16F3NO — CID 116569546

IUPAC4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
SMILESCC1(C(=O)CCC(F)(F)F)CCCNC1
InChIInChI=1S/C10H16F3NO/c1-9(4-2-6-14-7-9)8(15)3-5-10(11,12)13/h14H,2-7H2,1H3
InChIKeyYGPSWOGXXSHPNG-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds3

About 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one

4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one (PubChem CID 116569546) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
PubChem CID116569546
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
SMILESCC1(C(=O)CCC(F)(F)F)CCCNC1
InChIInChI=1S/C10H16F3NO/c1-9(4-2-6-14-7-9)8(15)3-5-10(11,12)13/h14H,2-7H2,1H3
InChIKeyYGPSWOGXXSHPNG-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one (CID 116569546) is 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one is CC1(C(=O)CCC(F)(F)F)CCCNC1.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one?
The InChIKey is YGPSWOGXXSHPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(4-2-6-14-7-9)8(15)3-5-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one?
4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one is sourced from PubChem (CID 116569546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).