3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine

C18H39F3N2 — CID 163380589

IUPAC3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine
SMILESCC.CC.CC1CNCC(F)(F)C1.CCCC1CNCCC1F
InChIInChI=1S/C8H16FN.C6H11F2N.2C2H6/c1-2-3-7-6-10-5-4-8(7)9;1-5-2-6(7,8)4-9-3-5;2*1-2/h7-8,10H,2-6H2,1H3;5,9H,2-4H2,1H3;2*1-2H3
InChIKeyLTVHFBLUFRPIGT-UHFFFAOYSA-N
MW340.52 g/mol
LogP5.04
Rot. Bonds2

About 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine

3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine (PubChem CID 163380589) has the molecular formula C18H39F3N2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine
PubChem CID163380589
Molecular FormulaC18H39F3N2
Molecular Weight340.52 g/mol
Exact Mass340.31
IUPAC Name3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine
SMILESCC.CC.CC1CNCC(F)(F)C1.CCCC1CNCCC1F
InChIInChI=1S/C8H16FN.C6H11F2N.2C2H6/c1-2-3-7-6-10-5-4-8(7)9;1-5-2-6(7,8)4-9-3-5;2*1-2/h7-8,10H,2-6H2,1H3;5,9H,2-4H2,1H3;2*1-2H3
InChIKeyLTVHFBLUFRPIGT-UHFFFAOYSA-N
XLogP5.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.52
LogP ≤ 55.04
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-methylpiperidine;ethane;4-fluoro-3-propylpiperidine?
The IUPAC name of 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine (CID 163380589) is 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine.
What is the SMILES notation for 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine?
The canonical SMILES for 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine is CC.CC.CC1CNCC(F)(F)C1.CCCC1CNCCC1F.
What is the InChIKey of 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine?
The InChIKey is LTVHFBLUFRPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN.C6H11F2N.2C2H6/c1-2-3-7-6-10-5-4-8(7)9;1-5-2-6(7,8)4-9-3-5;2*1-2/h7-8,10H,2-6H2,1H3;5,9H,2-4H2,1H3;2*1-2H3.
What are the key properties of 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine?
3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine has a molecular weight of 340.52 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylpiperidine;ethane;4-fluoro-3-propylpiperidine is sourced from PubChem (CID 163380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).