2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone

C7H9F4NO — CID 134827901

IUPAC2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone
SMILESO=C(N1CCCC(F)C1)C(F)(F)F
InChIInChI=1S/C7H9F4NO/c8-5-2-1-3-12(4-5)6(13)7(9,10)11/h5H,1-4H2
InChIKeyKDDMLXTZXFRROP-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.51
Rot. Bonds

About 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone (PubChem CID 134827901) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone
PubChem CID134827901
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC Name2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone
SMILESO=C(N1CCCC(F)C1)C(F)(F)F
InChIInChI=1S/C7H9F4NO/c8-5-2-1-3-12(4-5)6(13)7(9,10)11/h5H,1-4H2
InChIKeyKDDMLXTZXFRROP-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
1-Trifluoroacetyl piperidine
CID 5181830
1-(Trifluoroacetyl)piperidin-4-one
CID 15080943
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-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone (CID 134827901) is 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone is O=C(N1CCCC(F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone?
The InChIKey is KDDMLXTZXFRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c8-5-2-1-3-12(4-5)6(13)7(9,10)11/h5H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-fluoropiperidin-1-yl)ethanone has a molecular weight of 199.15 g/mol, XLogP of 1.51, 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-(3-fluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 134827901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).