5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one

C12H18FNO — CID 70802318

IUPAC5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one
SMILESCCCCC[C@@H](C)c1cc(F)c[nH]c1=O
InChIInChI=1S/C12H18FNO/c1-3-4-5-6-9(2)11-7-10(13)8-14-12(11)15/h7-9H,3-6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyXEYPLBUKYXMNLY-SECBINFHSA-N
MW211.28 g/mol
LogP3.20
Rot. Bonds5

About 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one

5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one (PubChem CID 70802318) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one
PubChem CID70802318
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one
SMILESCCCCC[C@@H](C)c1cc(F)c[nH]c1=O
InChIInChI=1S/C12H18FNO/c1-3-4-5-6-9(2)11-7-10(13)8-14-12(11)15/h7-9H,3-6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyXEYPLBUKYXMNLY-SECBINFHSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one (CID 70802318) is 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one is CCCCC[C@@H](C)c1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one?
The InChIKey is XEYPLBUKYXMNLY-SECBINFHSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-4-5-6-9(2)11-7-10(13)8-14-12(11)15/h7-9H,3-6H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one?
5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one has a molecular weight of 211.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 70802318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).