N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C8H12F2N2O — CID 131224020

IUPACN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)F)N1CC=CCC1
InChIInChI=1S/C8H12F2N2O/c9-7(10)6-11-8(13)12-4-2-1-3-5-12/h1-2,7H,3-6H2,(H,11,13)
InChIKeySAVFSDDABHHJNC-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.22
Rot. Bonds2

About N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131224020) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID131224020
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC(F)F)N1CC=CCC1
InChIInChI=1S/C8H12F2N2O/c9-7(10)6-11-8(13)12-4-2-1-3-5-12/h1-2,7H,3-6H2,(H,11,13)
InChIKeySAVFSDDABHHJNC-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131224020) is N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCC(F)F)N1CC=CCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SAVFSDDABHHJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-7(10)6-11-8(13)12-4-2-1-3-5-12/h1-2,7H,3-6H2,(H,11,13).
What are the key properties of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 190.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131224020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).