2,2,2-trifluoro-1-piperidin-3-ylethanol

C7H12F3NO — CID 50990579

IUPAC2,2,2-trifluoro-1-piperidin-3-ylethanol
SMILESOC(C1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5-6,11-12H,1-4H2
InChIKeyNKVGSTBMABUXRA-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.91
Rot. Bonds1

About 2,2,2-trifluoro-1-piperidin-3-ylethanol

2,2,2-trifluoro-1-piperidin-3-ylethanol (PubChem CID 50990579) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperidin-3-ylethanol
PubChem CID50990579
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2,2,2-trifluoro-1-piperidin-3-ylethanol
SMILESOC(C1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5-6,11-12H,1-4H2
InChIKeyNKVGSTBMABUXRA-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperidin-3-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-piperidin-3-ylethanol (CID 50990579) is 2,2,2-trifluoro-1-piperidin-3-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-piperidin-3-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-piperidin-3-ylethanol is OC(C1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperidin-3-ylethanol?
The InChIKey is NKVGSTBMABUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h5-6,11-12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-piperidin-3-ylethanol?
2,2,2-trifluoro-1-piperidin-3-ylethanol has a molecular weight of 183.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperidin-3-ylethanol is sourced from PubChem (CID 50990579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).