bis(4,4-difluoropiperidin-1-yl)methanone

C11H16F4N2O — CID 140517091

IUPACbis(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2
InChIKeyHOHRXYCEVFIKDU-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.57
Rot. Bonds

About bis(4,4-difluoropiperidin-1-yl)methanone

bis(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 140517091) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is bis(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(4,4-difluoropiperidin-1-yl)methanone
PubChem CID140517091
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Namebis(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2
InChIKeyHOHRXYCEVFIKDU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(4,4-difluoropiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of bis(4,4-difluoropiperidin-1-yl)methanone (CID 140517091) is bis(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for bis(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for bis(4,4-difluoropiperidin-1-yl)methanone is O=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of bis(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is HOHRXYCEVFIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2.
What are the key properties of bis(4,4-difluoropiperidin-1-yl)methanone?
bis(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 268.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 140517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).