3,3-difluoro-1-prop-1-en-2-ylpiperidine

C8H13F2N — CID 163772919

IUPAC3,3-difluoro-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h1,3-6H2,2H3
InChIKeyMHYWRUQNRGOGIS-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds1

About 3,3-difluoro-1-prop-1-en-2-ylpiperidine

3,3-difluoro-1-prop-1-en-2-ylpiperidine (PubChem CID 163772919) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-prop-1-en-2-ylpiperidine
PubChem CID163772919
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h1,3-6H2,2H3
InChIKeyMHYWRUQNRGOGIS-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpiperidine (CID 163772919) is 3,3-difluoro-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-prop-1-en-2-ylpiperidine?
The InChIKey is MHYWRUQNRGOGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h1,3-6H2,2H3.
What are the key properties of 3,3-difluoro-1-prop-1-en-2-ylpiperidine?
3,3-difluoro-1-prop-1-en-2-ylpiperidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 163772919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).