1-(2,2-difluoroethyl)piperidine

C7H13F2N — CID 57481522

IUPAC1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCCCC1
InChIInChI=1S/C7H13F2N/c8-7(9)6-10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyDOQYGSXVGZSQTO-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.74
Rot. Bonds2

About 1-(2,2-difluoroethyl)piperidine

1-(2,2-difluoroethyl)piperidine (PubChem CID 57481522) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidine
PubChem CID57481522
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCCCC1
InChIInChI=1S/C7H13F2N/c8-7(9)6-10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyDOQYGSXVGZSQTO-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)piperidine (CID 57481522) is 1-(2,2-difluoroethyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidine is FC(F)CN1CCCCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidine?
The InChIKey is DOQYGSXVGZSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-7(9)6-10-4-2-1-3-5-10/h7H,1-6H2.
What are the key properties of 1-(2,2-difluoroethyl)piperidine?
1-(2,2-difluoroethyl)piperidine has a molecular weight of 149.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)piperidine is sourced from PubChem (CID 57481522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).