8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one

C12H14FNO — CID 158401013

IUPAC8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one
SMILESCc1ccc(F)c2c1CC(=O)C(C)(C)N2
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(7)6-10(15)12(2,3)14-11/h4-5,14H,6H2,1-3H3
InChIKeyLKLSZPOBLSXKFM-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.45
Rot. Bonds

About 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one

8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one (PubChem CID 158401013) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one
PubChem CID158401013
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one
SMILESCc1ccc(F)c2c1CC(=O)C(C)(C)N2
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(7)6-10(15)12(2,3)14-11/h4-5,14H,6H2,1-3H3
InChIKeyLKLSZPOBLSXKFM-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one?
The IUPAC name of 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one (CID 158401013) is 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one.
What is the SMILES notation for 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one?
The canonical SMILES for 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one is Cc1ccc(F)c2c1CC(=O)C(C)(C)N2.
What is the InChIKey of 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one?
The InChIKey is LKLSZPOBLSXKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(7)6-10(15)12(2,3)14-11/h4-5,14H,6H2,1-3H3.
What are the key properties of 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one?
8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one has a molecular weight of 207.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2,5-trimethyl-1,4-dihydroquinolin-3-one is sourced from PubChem (CID 158401013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).