(4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone

C10H16F2N2O — CID 67293784

IUPAC(4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-5-14(6-3-10)9(15)8-1-4-13-7-8/h8,13H,1-7H2
InChIKeyJHHXFOUVVJOJEZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone

(4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 67293784) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID67293784
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-5-14(6-3-10)9(15)8-1-4-13-7-8/h8,13H,1-7H2
InChIKeyJHHXFOUVVJOJEZ-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 (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone (CID 67293784) is (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is JHHXFOUVVJOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)2-5-14(6-3-10)9(15)8-1-4-13-7-8/h8,13H,1-7H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone?
(4,4-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 (4,4-difluoropiperidin-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 67293784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).