1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone

C10H16F3NO2 — CID 65803661

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CC1)CCOC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h9H,2-7H2,1H3
InChIKeyUJIMLZDRXYBMFF-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone

1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone (PubChem CID 65803661) has the molecular formula C10H16F3NO2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone
PubChem CID65803661
Molecular FormulaC10H16F3NO2
Molecular Weight239.23 g/mol
Exact Mass239.11
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CC1)CCOC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h9H,2-7H2,1H3
InChIKeyUJIMLZDRXYBMFF-UHFFFAOYSA-N
XLogP1.50
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methoxyethyl)piperidine-4-carbaldehyde
CID 17893954
2-Methoxyethyl-dimethyl-(5,5,5-trifluoro-4-oxopentyl)azanium
CID 19005113
1,1,1,2,4,4,5,5,6,6-Decafluoro-6-morpholin-4-yl-2-(trifluoromethyl)hexan-3-one
CID 138749655
Ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
CID 165407217
1,1-Difluoro-5-methyl-1-morpholin-4-ylhept-2-yn-4-one
CID 171517209
4-Methyl-5-morpholino-pentane-2-one
CID 129771205
Ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate
CID 60911033
Methyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate
CID 61328340
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carbaldehyde
CID 62655743
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
CID 63828772
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]ethanone
CID 63844945
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-4-yl]ethanone
CID 63845640

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone (CID 65803661) is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(CC1)CCOC(F)(F)F.
What is the InChIKey of 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone?
The InChIKey is UJIMLZDRXYBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h9H,2-7H2,1H3.
What are the key properties of 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone?
1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone has a molecular weight of 239.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(Trifluoromethoxy)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 65803661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).