[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate

C12H12F3NO2 — CID 95616017

IUPAC[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate
SMILESO=C(O[C@H](c1cccnc1)C(F)(F)F)C1CCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10(9-5-2-6-16-7-9)18-11(17)8-3-1-4-8/h2,5-8,10H,1,3-4H2/t10-/m1/s1
InChIKeyLNXPUMYGHRJFQH-SNVBAGLBSA-N
MW259.23 g/mol
LogP3.03
Rot. Bonds3

About [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate

[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate (PubChem CID 95616017) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate
PubChem CID95616017
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate
SMILESO=C(O[C@H](c1cccnc1)C(F)(F)F)C1CCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10(9-5-2-6-16-7-9)18-11(17)8-3-1-4-8/h2,5-8,10H,1,3-4H2/t10-/m1/s1
InChIKeyLNXPUMYGHRJFQH-SNVBAGLBSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
CID 58450224
CID 58450224
benzhydryl cyclobutanecarboxylate
CID 134016551
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate
CID 75468083
[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 97095151
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-2-sulfonate
CID 167743029
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 99934472

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate?
The IUPAC name of [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate (CID 95616017) is [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate.
What is the SMILES notation for [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate?
The canonical SMILES for [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate is O=C(O[C@H](c1cccnc1)C(F)(F)F)C1CCC1.
What is the InChIKey of [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate?
The InChIKey is LNXPUMYGHRJFQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)10(9-5-2-6-16-7-9)18-11(17)8-3-1-4-8/h2,5-8,10H,1,3-4H2/t10-/m1/s1.
What are the key properties of [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate?
[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate has a molecular weight of 259.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl] cyclobutanecarboxylate is sourced from PubChem (CID 95616017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).