1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone

C10H14F3NO — CID 142835644

IUPAC1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone
SMILESC=C(N1CCC(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(15)9-3-5-14(6-4-9)8(2)10(11,12)13/h9H,2-6H2,1H3
InChIKeyHYQOYNAJIJZHKE-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds2

About 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone

1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone (PubChem CID 142835644) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone
PubChem CID142835644
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone
SMILESC=C(N1CCC(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(15)9-3-5-14(6-4-9)8(2)10(11,12)13/h9H,2-6H2,1H3
InChIKeyHYQOYNAJIJZHKE-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone (CID 142835644) is 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone is C=C(N1CCC(C(C)=O)CC1)C(F)(F)F.
What is the InChIKey of 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone?
The InChIKey is HYQOYNAJIJZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(15)9-3-5-14(6-4-9)8(2)10(11,12)13/h9H,2-6H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone?
1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone has a molecular weight of 221.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 142835644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).