3,3-difluoro-4-propylpiperidine

C8H15F2N — CID 84651633

IUPAC3,3-difluoro-4-propylpiperidine
SMILESCCCC1CCNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-2-3-7-4-5-11-6-8(7,9)10/h7,11H,2-6H2,1H3
InChIKeyCOWUKWMFEKMIFL-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds2

About 3,3-difluoro-4-propylpiperidine

3,3-difluoro-4-propylpiperidine (PubChem CID 84651633) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-4-propylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-propylpiperidine
PubChem CID84651633
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-4-propylpiperidine
SMILESCCCC1CCNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-2-3-7-4-5-11-6-8(7,9)10/h7,11H,2-6H2,1H3
InChIKeyCOWUKWMFEKMIFL-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propylpiperidine?
The IUPAC name of 3,3-difluoro-4-propylpiperidine (CID 84651633) is 3,3-difluoro-4-propylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-propylpiperidine?
The canonical SMILES for 3,3-difluoro-4-propylpiperidine is CCCC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propylpiperidine?
The InChIKey is COWUKWMFEKMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-2-3-7-4-5-11-6-8(7,9)10/h7,11H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-4-propylpiperidine?
3,3-difluoro-4-propylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propylpiperidine is sourced from PubChem (CID 84651633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).