3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine

C18H39F3N2 — CID 170599518

IUPAC3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine
SMILESCC.CC.CC(C)C1CNCC(F)(F)C1.CC1CNCCC1F
InChIInChI=1S/C8H15F2N.C6H12FN.2C2H6/c1-6(2)7-3-8(9,10)5-11-4-7;1-5-4-8-3-2-6(5)7;2*1-2/h6-7,11H,3-5H2,1-2H3;5-6,8H,2-4H2,1H3;2*1-2H3
InChIKeyXOGNFRWLBIDZQU-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.89
Rot. Bonds1

About 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine

3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine (PubChem CID 170599518) has the molecular formula C18H39F3N2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine
PubChem CID170599518
Molecular FormulaC18H39F3N2
Molecular Weight340.52 g/mol
Exact Mass340.31
IUPAC Name3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine
SMILESCC.CC.CC(C)C1CNCC(F)(F)C1.CC1CNCCC1F
InChIInChI=1S/C8H15F2N.C6H12FN.2C2H6/c1-6(2)7-3-8(9,10)5-11-4-7;1-5-4-8-3-2-6(5)7;2*1-2/h6-7,11H,3-5H2,1-2H3;5-6,8H,2-4H2,1H3;2*1-2H3
InChIKeyXOGNFRWLBIDZQU-UHFFFAOYSA-N
XLogP4.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine?
The IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine (CID 170599518) is 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine.
What is the SMILES notation for 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine?
The canonical SMILES for 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine is CC.CC.CC(C)C1CNCC(F)(F)C1.CC1CNCCC1F.
What is the InChIKey of 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine?
The InChIKey is XOGNFRWLBIDZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C6H12FN.2C2H6/c1-6(2)7-3-8(9,10)5-11-4-7;1-5-4-8-3-2-6(5)7;2*1-2/h6-7,11H,3-5H2,1-2H3;5-6,8H,2-4H2,1H3;2*1-2H3.
What are the key properties of 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine?
3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine has a molecular weight of 340.52 g/mol, XLogP of 4.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-propan-2-ylpiperidine;ethane;4-fluoro-3-methylpiperidine is sourced from PubChem (CID 170599518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).