[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate

C9H8F2N2O3 — CID 175332830

IUPAC[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate
SMILESCC(=O)c1cc(OC(N)=O)cc(C(F)F)n1
InChIInChI=1S/C9H8F2N2O3/c1-4(14)6-2-5(16-9(12)15)3-7(13-6)8(10)11/h2-3,8H,1H3,(H2,12,15)
InChIKeyWKRSHCPTQISAAZ-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.68
Rot. Bonds3

About [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate

[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate (PubChem CID 175332830) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate.

Molecular Properties

Compound Name[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate
PubChem CID175332830
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate
SMILESCC(=O)c1cc(OC(N)=O)cc(C(F)F)n1
InChIInChI=1S/C9H8F2N2O3/c1-4(14)6-2-5(16-9(12)15)3-7(13-6)8(10)11/h2-3,8H,1H3,(H2,12,15)
InChIKeyWKRSHCPTQISAAZ-UHFFFAOYSA-N
XLogP1.68
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate?
The IUPAC name of [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate (CID 175332830) is [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate.
What is the SMILES notation for [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate?
The canonical SMILES for [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate is CC(=O)c1cc(OC(N)=O)cc(C(F)F)n1.
What is the InChIKey of [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate?
The InChIKey is WKRSHCPTQISAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c1-4(14)6-2-5(16-9(12)15)3-7(13-6)8(10)11/h2-3,8H,1H3,(H2,12,15).
What are the key properties of [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate?
[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate has a molecular weight of 230.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate is sourced from PubChem (CID 175332830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).