2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

C9H13F4NO2 — CID 104956554

IUPAC2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(F)(F)C(F)F)CCC1O
InChIInChI=1S/C9H13F4NO2/c1-5-4-14(3-2-6(5)15)8(16)9(12,13)7(10)11/h5-7,15H,2-4H2,1H3
InChIKeyRMUAULULTWPTEP-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.12
Rot. Bonds2

About 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 104956554) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
PubChem CID104956554
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(F)(F)C(F)F)CCC1O
InChIInChI=1S/C9H13F4NO2/c1-5-4-14(3-2-6(5)15)8(16)9(12,13)7(10)11/h5-7,15H,2-4H2,1H3
InChIKeyRMUAULULTWPTEP-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340851
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-3-methoxy-2,2-dimethylpropan-1-one
CID 164641026
2,2,2-Trifluoro-1-(4-hydroxypiperidin-1-yl)ethanone
CID 15895240
1-(3,3-Difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 46177344
1-[(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 51357309
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 75631746
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (CID 104956554) is 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one is CC1CN(C(=O)C(F)(F)C(F)F)CCC1O.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is RMUAULULTWPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-5-4-14(3-2-6(5)15)8(16)9(12,13)7(10)11/h5-7,15H,2-4H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 243.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 104956554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).