(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone

C10H16F2N2O — CID 67293918

IUPAC(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2
InChIKeyJWCFDVJHTXRNMW-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone

(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 67293918) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID67293918
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2
InChIKeyJWCFDVJHTXRNMW-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone (CID 67293918) is (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is JWCFDVJHTXRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)3-1-5-14(7-10)9(15)8-2-4-13-6-8/h8,13H,1-7H2.
What are the key properties of (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
(3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 218.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 67293918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).