N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide

C9H9F7N2O2 — CID 533937

IUPACN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C9H9F7N2O2/c10-4(11)7(2-1-3-17-5(7)19)18-6(20)8(12,13)9(14,15)16/h4H,1-3H2,(H,17,19)(H,18,20)
InChIKeyRPPNVDZMKKOPTO-UHFFFAOYSA-N
MW310.17 g/mol
LogP1.21
Rot. Bonds3

About N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide

N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 533937) has the molecular formula C9H9F7N2O2 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID533937
Molecular FormulaC9H9F7N2O2
Molecular Weight310.17 g/mol
Exact Mass310.06
IUPAC NameN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C9H9F7N2O2/c10-4(11)7(2-1-3-17-5(7)19)18-6(20)8(12,13)9(14,15)16/h4H,1-3H2,(H,17,19)(H,18,20)
InChIKeyRPPNVDZMKKOPTO-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide (CID 533937) is N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide is O=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)F)C(F)F.
What is the InChIKey of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is RPPNVDZMKKOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7N2O2/c10-4(11)7(2-1-3-17-5(7)19)18-6(20)8(12,13)9(14,15)16/h4H,1-3H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide?
N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 310.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 533937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).