3,3,4,5-tetrafluoropiperidine

C5H7F4N — CID 91309126

IUPAC3,3,4,5-tetrafluoropiperidine
SMILESFC1CNCC(F)(F)C1F
InChIInChI=1S/C5H7F4N/c6-3-1-10-2-5(8,9)4(3)7/h3-4,10H,1-2H2
InChIKeyWLHCBKROXZPOOK-UHFFFAOYSA-N
MW157.11 g/mol
LogP0.90
Rot. Bonds

About 3,3,4,5-tetrafluoropiperidine

3,3,4,5-tetrafluoropiperidine (PubChem CID 91309126) has the molecular formula C5H7F4N and a molecular weight of 157.11 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoropiperidine.

Molecular Properties

Compound Name3,3,4,5-tetrafluoropiperidine
PubChem CID91309126
Molecular FormulaC5H7F4N
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name3,3,4,5-tetrafluoropiperidine
SMILESFC1CNCC(F)(F)C1F
InChIInChI=1S/C5H7F4N/c6-3-1-10-2-5(8,9)4(3)7/h3-4,10H,1-2H2
InChIKeyWLHCBKROXZPOOK-UHFFFAOYSA-N
XLogP0.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoropiperidine?
The IUPAC name of 3,3,4,5-tetrafluoropiperidine (CID 91309126) is 3,3,4,5-tetrafluoropiperidine.
What is the SMILES notation for 3,3,4,5-tetrafluoropiperidine?
The canonical SMILES for 3,3,4,5-tetrafluoropiperidine is FC1CNCC(F)(F)C1F.
What is the InChIKey of 3,3,4,5-tetrafluoropiperidine?
The InChIKey is WLHCBKROXZPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4N/c6-3-1-10-2-5(8,9)4(3)7/h3-4,10H,1-2H2.
What are the key properties of 3,3,4,5-tetrafluoropiperidine?
3,3,4,5-tetrafluoropiperidine has a molecular weight of 157.11 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrafluoropiperidine is sourced from PubChem (CID 91309126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).