4-(3,3-difluoropyrrolidin-1-yl)piperidine

C9H16F2N2 — CID 53488020

IUPAC4-(3,3-difluoropyrrolidin-1-yl)piperidine
SMILESFC1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8/h8,12H,1-7H2
InChIKeyHLHFAPNXTVOVGE-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)piperidine

4-(3,3-difluoropyrrolidin-1-yl)piperidine (PubChem CID 53488020) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)piperidine
PubChem CID53488020
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)piperidine
SMILESFC1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8/h8,12H,1-7H2
InChIKeyHLHFAPNXTVOVGE-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine (CID 53488020) is 4-(3,3-difluoropyrrolidin-1-yl)piperidine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)piperidine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)piperidine is FC1(F)CCN(C2CCNCC2)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)piperidine?
The InChIKey is HLHFAPNXTVOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8/h8,12H,1-7H2.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)piperidine?
4-(3,3-difluoropyrrolidin-1-yl)piperidine has a molecular weight of 190.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)piperidine is sourced from PubChem (CID 53488020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).