3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one

C10H16F3NO — CID 114425852

IUPAC3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCCC1CCNC(CC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-2-7-3-4-14-8(5-7)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyQREMSNGUARVWJK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds3

About 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one

3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 114425852) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one
PubChem CID114425852
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one
SMILESCCC1CCNC(CC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-2-7-3-4-14-8(5-7)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyQREMSNGUARVWJK-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 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one (CID 114425852) is 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one is CCC1CCNC(CC(=O)C(F)(F)F)C1.
What is the InChIKey of 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is QREMSNGUARVWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-7-3-4-14-8(5-7)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one?
3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-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 3-(4-ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 114425852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).