8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one

C11H12FNO — CID 102357907

IUPAC8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cccc(F)c2NC1=O
InChIInChI=1S/C11H12FNO/c1-11(2)6-7-4-3-5-8(12)9(7)13-10(11)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyXKDLMTRQLBIBNE-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.35
Rot. Bonds

About 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one

8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one (PubChem CID 102357907) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
PubChem CID102357907
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
SMILESCC1(C)Cc2cccc(F)c2NC1=O
InChIInChI=1S/C11H12FNO/c1-11(2)6-7-4-3-5-8(12)9(7)13-10(11)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyXKDLMTRQLBIBNE-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one (CID 102357907) is 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one is CC1(C)Cc2cccc(F)c2NC1=O.
What is the InChIKey of 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one?
The InChIKey is XKDLMTRQLBIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(2)6-7-4-3-5-8(12)9(7)13-10(11)14/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one?
8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 102357907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).