furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

C11H12F3NO3 — CID 84592483

IUPACfuran-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)10(17)2-4-15(5-3-10)9(16)8-1-6-18-7-8/h1,6-7,17H,2-5H2
InChIKeyKSUMFFLQBZQFRV-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.81
Rot. Bonds1

About furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 84592483) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID84592483
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Namefuran-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)10(17)2-4-15(5-3-10)9(16)8-1-6-18-7-8/h1,6-7,17H,2-5H2
InChIKeyKSUMFFLQBZQFRV-UHFFFAOYSA-N
XLogP1.81
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 113341756
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 86781380
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97370696
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(furan-3-yl)methanone
CID 70751006
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
N-[4-[4-hydroxy-4-(trifluoromethyl)piperidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 136542036
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-(furan-3-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108781
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 84592483) is furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is KSUMFFLQBZQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)10(17)2-4-15(5-3-10)9(16)8-1-6-18-7-8/h1,6-7,17H,2-5H2.
What are the key properties of furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 263.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 84592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).