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

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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).