3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol

C16H14Cl2FNO2 — CID 25009924

IUPAC3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3c(Cl)ccc(O)c3Cl)c2O1
InChIInChI=1S/C16H14Cl2FNO2/c17-12-3-4-13(21)15(18)14(12)11-6-9(19)5-8-1-2-10(7-20)22-16(8)11/h3-6,10,21H,1-2,7,20H2/t10-/m1/s1
InChIKeySZWGZTKWIKJMQJ-SNVBAGLBSA-N
MW342.20 g/mol
LogP4.16
Rot. Bonds2

About 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol

3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol (PubChem CID 25009924) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol.

Molecular Properties

Compound Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol
PubChem CID25009924
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3c(Cl)ccc(O)c3Cl)c2O1
InChIInChI=1S/C16H14Cl2FNO2/c17-12-3-4-13(21)15(18)14(12)11-6-9(19)5-8-1-2-10(7-20)22-16(8)11/h3-6,10,21H,1-2,7,20H2/t10-/m1/s1
InChIKeySZWGZTKWIKJMQJ-SNVBAGLBSA-N
XLogP4.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol?
The IUPAC name of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol (CID 25009924) is 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol.
What is the SMILES notation for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol?
The canonical SMILES for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol is NC[C@H]1CCc2cc(F)cc(-c3c(Cl)ccc(O)c3Cl)c2O1.
What is the InChIKey of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol?
The InChIKey is SZWGZTKWIKJMQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-12-3-4-13(21)15(18)14(12)11-6-9(19)5-8-1-2-10(7-20)22-16(8)11/h3-6,10,21H,1-2,7,20H2/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol?
3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol has a molecular weight of 342.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol is sourced from PubChem (CID 25009924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).