3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine

C10H18F3NO — CID 66275465

IUPAC3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
SMILESCC(OCCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(10(11,12)13)15-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyFINYOOKGINLDIO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds4

About 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine

3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine (PubChem CID 66275465) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
PubChem CID66275465
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
SMILESCC(OCCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(10(11,12)13)15-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyFINYOOKGINLDIO-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The IUPAC name of 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine (CID 66275465) is 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine is CC(OCCC1CCCNC1)C(F)(F)F.
What is the InChIKey of 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The InChIKey is FINYOOKGINLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(10(11,12)13)15-6-4-9-3-2-5-14-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine is sourced from PubChem (CID 66275465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).