7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one

C11H10ClFO2 — CID 59442987

IUPAC7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2c(F)cc(Cl)cc2O1
InChIInChI=1S/C11H10ClFO2/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4H,5H2,1-2H3
InChIKeyOCXZIPFCQPJDPU-UHFFFAOYSA-N
MW228.65 g/mol
LogP3.22
Rot. Bonds

About 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one

7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one (PubChem CID 59442987) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
PubChem CID59442987
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2c(F)cc(Cl)cc2O1
InChIInChI=1S/C11H10ClFO2/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4H,5H2,1-2H3
InChIKeyOCXZIPFCQPJDPU-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-5-fluoro-2,2-dimethyl-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

6-bromo-7-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 115410613
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
7-[(2,4-dichlorophenyl)methoxy]-2,2,5-trimethyl-3H-chromen-4-one
CID 2727972
(2,2,5-trimethyl-4-oxo-3H-chromen-7-yl) cyanate
CID 10466429
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
CID 64698086
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
CID 88921692
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
CID 88638845
5-(4-fluorophenyl)-2,2-dimethyl-4-oxo-7-propan-2-yl-3H-chromene-6-carbaldehyde
CID 58003023
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
methyl 6-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566406

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one (CID 59442987) is 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2c(F)cc(Cl)cc2O1.
What is the InChIKey of 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is OCXZIPFCQPJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4H,5H2,1-2H3.
What are the key properties of 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one?
7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 228.65 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 59442987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).