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

C10H16F5NO — CID 59012991

IUPAC1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine
SMILESFC(F)C(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c11-9(12)8(10(13,14)15)17-7-6-16-4-2-1-3-5-16/h8-9H,1-7H2
InChIKeyXHCZLRCOTQVLPV-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.68
Rot. Bonds5

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

1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine (PubChem CID 59012991) has the molecular formula C10H16F5NO and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine
PubChem CID59012991
Molecular FormulaC10H16F5NO
Molecular Weight261.23 g/mol
Exact Mass261.12
IUPAC Name1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine
SMILESFC(F)C(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c11-9(12)8(10(13,14)15)17-7-6-16-4-2-1-3-5-16/h8-9H,1-7H2
InChIKeyXHCZLRCOTQVLPV-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine?
The IUPAC name of 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine (CID 59012991) is 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine is FC(F)C(OCCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine?
The InChIKey is XHCZLRCOTQVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO/c11-9(12)8(10(13,14)15)17-7-6-16-4-2-1-3-5-16/h8-9H,1-7H2.
What are the key properties of 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine?
1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine has a molecular weight of 261.23 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl]piperidine is sourced from PubChem (CID 59012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).