8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine

C16H14Cl2FNO3 — CID 143663616

IUPAC8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine
SMILESCN.O=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1
InChIInChI=1S/C15H9Cl2FO3.CH5N/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10;1-2/h1-3,5,20H,4,6H2;2H2,1H3
InChIKeyWRHSMQKLASRSMA-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.58
Rot. Bonds1

About 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine

8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine (PubChem CID 143663616) has the molecular formula C16H14Cl2FNO3 and a molecular weight of 358.20 g/mol. Its IUPAC name is 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine.

Molecular Properties

Compound Name8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine
PubChem CID143663616
Molecular FormulaC16H14Cl2FNO3
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine
SMILESCN.O=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1
InChIInChI=1S/C15H9Cl2FO3.CH5N/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10;1-2/h1-3,5,20H,4,6H2;2H2,1H3
InChIKeyWRHSMQKLASRSMA-UHFFFAOYSA-N
XLogP3.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine?
The IUPAC name of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine (CID 143663616) is 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine.
What is the SMILES notation for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine?
The canonical SMILES for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine is CN.O=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1.
What is the InChIKey of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine?
The InChIKey is WRHSMQKLASRSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO3.CH5N/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10;1-2/h1-3,5,20H,4,6H2;2H2,1H3.
What are the key properties of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine?
8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine has a molecular weight of 358.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine is sourced from PubChem (CID 143663616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).