2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol

C10H18F3NO — CID 59252398

IUPAC2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol
SMILESCC(C)C1CCCN(C(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)8-4-3-5-14(6-8)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3
InChIKeyDQOARIXMWGRWCR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.24
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol

2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol (PubChem CID 59252398) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol
PubChem CID59252398
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol
SMILESCC(C)C1CCCN(C(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)8-4-3-5-14(6-8)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3
InChIKeyDQOARIXMWGRWCR-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol (CID 59252398) is 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol is CC(C)C1CCCN(C(O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol?
The InChIKey is DQOARIXMWGRWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)8-4-3-5-14(6-8)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol?
2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol has a molecular weight of 225.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 59252398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).