bis(2,2-difluoropiperidin-1-yl)methanone

C11H16F4N2O — CID 68882898

IUPACbis(2,2-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCCCC1(F)F)N1CCCCC1(F)F
InChIInChI=1S/C11H16F4N2O/c12-10(13)5-1-3-7-16(10)9(18)17-8-4-2-6-11(17,14)15/h1-8H2
InChIKeyMESHSANKRCIGBO-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.26
Rot. Bonds

About bis(2,2-difluoropiperidin-1-yl)methanone

bis(2,2-difluoropiperidin-1-yl)methanone (PubChem CID 68882898) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is bis(2,2-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(2,2-difluoropiperidin-1-yl)methanone
PubChem CID68882898
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Namebis(2,2-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCCCC1(F)F)N1CCCCC1(F)F
InChIInChI=1S/C11H16F4N2O/c12-10(13)5-1-3-7-16(10)9(18)17-8-4-2-6-11(17,14)15/h1-8H2
InChIKeyMESHSANKRCIGBO-UHFFFAOYSA-N
XLogP3.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoropiperidin-1-yl)methanone?
The IUPAC name of bis(2,2-difluoropiperidin-1-yl)methanone (CID 68882898) is bis(2,2-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for bis(2,2-difluoropiperidin-1-yl)methanone?
The canonical SMILES for bis(2,2-difluoropiperidin-1-yl)methanone is O=C(N1CCCCC1(F)F)N1CCCCC1(F)F.
What is the InChIKey of bis(2,2-difluoropiperidin-1-yl)methanone?
The InChIKey is MESHSANKRCIGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O/c12-10(13)5-1-3-7-16(10)9(18)17-8-4-2-6-11(17,14)15/h1-8H2.
What are the key properties of bis(2,2-difluoropiperidin-1-yl)methanone?
bis(2,2-difluoropiperidin-1-yl)methanone has a molecular weight of 268.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 68882898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).