3-(1,1-difluoroethyl)piperidine

C7H13F2N — CID 83854705

IUPAC3-(1,1-difluoroethyl)piperidine
SMILESCC(F)(F)C1CCCNC1
InChIInChI=1S/C7H13F2N/c1-7(8,9)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyRNGHWCYYHALVND-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.64
Rot. Bonds1

About 3-(1,1-difluoroethyl)piperidine

3-(1,1-difluoroethyl)piperidine (PubChem CID 83854705) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)piperidine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)piperidine
PubChem CID83854705
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name3-(1,1-difluoroethyl)piperidine
SMILESCC(F)(F)C1CCCNC1
InChIInChI=1S/C7H13F2N/c1-7(8,9)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyRNGHWCYYHALVND-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)piperidine?
The IUPAC name of 3-(1,1-difluoroethyl)piperidine (CID 83854705) is 3-(1,1-difluoroethyl)piperidine.
What is the SMILES notation for 3-(1,1-difluoroethyl)piperidine?
The canonical SMILES for 3-(1,1-difluoroethyl)piperidine is CC(F)(F)C1CCCNC1.
What is the InChIKey of 3-(1,1-difluoroethyl)piperidine?
The InChIKey is RNGHWCYYHALVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-7(8,9)6-3-2-4-10-5-6/h6,10H,2-5H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)piperidine?
3-(1,1-difluoroethyl)piperidine has a molecular weight of 149.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)piperidine is sourced from PubChem (CID 83854705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).