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

C9H14F3NO — CID 51076749

IUPAC3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-7-2-4-13(5-3-7)8(14)6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyQTVXFOKMHRPFDL-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds1

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

3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 51076749) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID51076749
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-7-2-4-13(5-3-7)8(14)6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyQTVXFOKMHRPFDL-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one (CID 51076749) is 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is QTVXFOKMHRPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7-2-4-13(5-3-7)8(14)6-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one?
3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 209.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 51076749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).