2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide

C12H18F2N2O2 — CID 144770920

IUPAC2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide
SMILESCC(C)(C)Oc1ccnc(C(C)(F)F)c1.NC=O
InChIInChI=1S/C11H15F2NO.CH3NO/c1-10(2,3)15-8-5-6-14-9(7-8)11(4,12)13;2-1-3/h5-7H,1-4H3;1H,(H2,2,3)
InChIKeyMAFLXFDZYNGWCC-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.47
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide

2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide (PubChem CID 144770920) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide
PubChem CID144770920
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide
SMILESCC(C)(C)Oc1ccnc(C(C)(F)F)c1.NC=O
InChIInChI=1S/C11H15F2NO.CH3NO/c1-10(2,3)15-8-5-6-14-9(7-8)11(4,12)13;2-1-3/h5-7H,1-4H3;1H,(H2,2,3)
InChIKeyMAFLXFDZYNGWCC-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide?
The IUPAC name of 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide (CID 144770920) is 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide is CC(C)(C)Oc1ccnc(C(C)(F)F)c1.NC=O.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide?
The InChIKey is MAFLXFDZYNGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO.CH3NO/c1-10(2,3)15-8-5-6-14-9(7-8)11(4,12)13;2-1-3/h5-7H,1-4H3;1H,(H2,2,3).
What are the key properties of 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide?
2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide has a molecular weight of 260.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide is sourced from PubChem (CID 144770920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).