[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol

C8H14F3NO — CID 71416383

IUPAC[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-2-7(4-12)5-13/h7,13H,1-6H2/t7-/m1/s1
InChIKeyHCHMELHRMTYUIH-SSDOTTSWSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds2

About [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol

[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol (PubChem CID 71416383) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
PubChem CID71416383
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-2-7(4-12)5-13/h7,13H,1-6H2/t7-/m1/s1
InChIKeyHCHMELHRMTYUIH-SSDOTTSWSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol (CID 71416383) is [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol is OC[C@@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The InChIKey is HCHMELHRMTYUIH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-2-7(4-12)5-13/h7,13H,1-6H2/t7-/m1/s1.
What are the key properties of [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 71416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).