8-fluoro-2,2,7-trimethyl-3H-chromen-4-one

C12H13FO2 — CID 103920514

IUPAC8-fluoro-2,2,7-trimethyl-3H-chromen-4-one
SMILESCc1ccc2c(c1F)OC(C)(C)CC2=O
InChIInChI=1S/C12H13FO2/c1-7-4-5-8-9(14)6-12(2,3)15-11(8)10(7)13/h4-5H,6H2,1-3H3
InChIKeyQDQIZSFUPJAGPW-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.88
Rot. Bonds

About 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one

8-fluoro-2,2,7-trimethyl-3H-chromen-4-one (PubChem CID 103920514) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name8-fluoro-2,2,7-trimethyl-3H-chromen-4-one
PubChem CID103920514
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name8-fluoro-2,2,7-trimethyl-3H-chromen-4-one
SMILESCc1ccc2c(c1F)OC(C)(C)CC2=O
InChIInChI=1S/C12H13FO2/c1-7-4-5-8-9(14)6-12(2,3)15-11(8)10(7)13/h4-5H,6H2,1-3H3
InChIKeyQDQIZSFUPJAGPW-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
6-bromo-2,2,8-trimethyl-3H-chromen-4-one
CID 64696216
2,2,8-trimethyl-7-prop-2-ynoxy-3H-chromen-4-one
CID 14161336
7-ethoxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
CID 14184039
methyl 2,2-dimethyl-4-oxo-3H-chromene-8-carboxylate
CID 137332825
ethane;2,2,4,7-tetramethyl-3H-1-benzofuran
CID 177194510
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
7-butan-2-yloxy-8-hydroxy-2,2-dimethyl-3H-chromen-4-one
CID 22158840
6-bromo-7-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 115410613
5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297472
2,2-dimethyl-3,7,8,9-tetrahydrofuro[3,2-i][1]benzoxepin-6-one
CID 43154982
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
CID 64698086

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one?
The IUPAC name of 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one (CID 103920514) is 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one.
What is the SMILES notation for 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one?
The canonical SMILES for 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one is Cc1ccc2c(c1F)OC(C)(C)CC2=O.
What is the InChIKey of 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one?
The InChIKey is QDQIZSFUPJAGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-7-4-5-8-9(14)6-12(2,3)15-11(8)10(7)13/h4-5H,6H2,1-3H3.
What are the key properties of 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one?
8-fluoro-2,2,7-trimethyl-3H-chromen-4-one has a molecular weight of 208.23 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2,7-trimethyl-3H-chromen-4-one is sourced from PubChem (CID 103920514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).