3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one

C8H7F4NO — CID 87477737

IUPAC3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C8H7F4NO/c1-4-2-3-5(13-6(4)14)8(11,12)7(9)10/h2-3,7H,1H3,(H,13,14)
InChIKeyMQMBYDLPZXPGRW-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.04
Rot. Bonds2

About 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one

3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one (PubChem CID 87477737) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
PubChem CID87477737
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C8H7F4NO/c1-4-2-3-5(13-6(4)14)8(11,12)7(9)10/h2-3,7H,1H3,(H,13,14)
InChIKeyMQMBYDLPZXPGRW-UHFFFAOYSA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one (CID 87477737) is 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one is Cc1ccc(C(F)(F)C(F)F)[nH]c1=O.
What is the InChIKey of 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one?
The InChIKey is MQMBYDLPZXPGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c1-4-2-3-5(13-6(4)14)8(11,12)7(9)10/h2-3,7H,1H3,(H,13,14).
What are the key properties of 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one?
3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one has a molecular weight of 209.14 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 87477737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).