1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol

C9H16F3NO — CID 103657057

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyDDFNVFYEGOLFBU-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol (PubChem CID 103657057) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
PubChem CID103657057
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyDDFNVFYEGOLFBU-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol (CID 103657057) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The InChIKey is DDFNVFYEGOLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103657057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).