3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine

C10H15F2NO — CID 154814510

IUPAC3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCC(OCC(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-2-5-13-6-3-4-9(7-13)14-8-10(11)12/h1,9-10H,3-8H2
InChIKeySIRFLXMVYQNQRX-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.37
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine

3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine (PubChem CID 154814510) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine
PubChem CID154814510
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCC(OCC(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-2-5-13-6-3-4-9(7-13)14-8-10(11)12/h1,9-10H,3-8H2
InChIKeySIRFLXMVYQNQRX-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine (CID 154814510) is 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine is C#CCN1CCCC(OCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine?
The InChIKey is SIRFLXMVYQNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-2-5-13-6-3-4-9(7-13)14-8-10(11)12/h1,9-10H,3-8H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine?
3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine has a molecular weight of 203.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-prop-2-ynylpiperidine is sourced from PubChem (CID 154814510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).