2,2,2-trifluoro-1-piperidin-1-ylethanone

C7H10F3NO — CID 5181830

IUPAC2,2,2-trifluoro-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyBCJUMGSHTLYECD-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds

About 2,2,2-trifluoro-1-piperidin-1-ylethanone

2,2,2-trifluoro-1-piperidin-1-ylethanone (PubChem CID 5181830) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperidin-1-ylethanone
PubChem CID5181830
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyBCJUMGSHTLYECD-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Acetylpiperidine
CID 12058
Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
1-(Trifluoroacetyl)piperidin-4-one
CID 15080943
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
2-Bromo-2,2-difluoro-1-piperidino-1-ethanone
CID 3695244
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperidin-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-piperidin-1-ylethanone (CID 5181830) is 2,2,2-trifluoro-1-piperidin-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-piperidin-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-piperidin-1-ylethanone is O=C(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperidin-1-ylethanone?
The InChIKey is BCJUMGSHTLYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 2,2,2-trifluoro-1-piperidin-1-ylethanone?
2,2,2-trifluoro-1-piperidin-1-ylethanone has a molecular weight of 181.16 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperidin-1-ylethanone is sourced from PubChem (CID 5181830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).