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

C16H15ClFNO2 — CID 25010105

IUPAC3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3cccc(O)c3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-15-12(2-1-3-14(15)20)13-7-10(18)6-9-4-5-11(8-19)21-16(9)13/h1-3,6-7,11,20H,4-5,8,19H2/t11-/m1/s1
InChIKeyVPKHGZPYUBFTMM-LLVKDONJSA-N
MW307.75 g/mol
LogP3.50
Rot. Bonds2

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

3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol (PubChem CID 25010105) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol.

Molecular Properties

Compound Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol
PubChem CID25010105
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3cccc(O)c3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-15-12(2-1-3-14(15)20)13-7-10(18)6-9-4-5-11(8-19)21-16(9)13/h1-3,6-7,11,20H,4-5,8,19H2/t11-/m1/s1
InChIKeyVPKHGZPYUBFTMM-LLVKDONJSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.50
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-chlorophenol?
The IUPAC name of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol (CID 25010105) is 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol.
What is the SMILES notation for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol?
The canonical SMILES for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol is NC[C@H]1CCc2cc(F)cc(-c3cccc(O)c3Cl)c2O1.
What is the InChIKey of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol?
The InChIKey is VPKHGZPYUBFTMM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-15-12(2-1-3-14(15)20)13-7-10(18)6-9-4-5-11(8-19)21-16(9)13/h1-3,6-7,11,20H,4-5,8,19H2/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol?
3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol has a molecular weight of 307.75 g/mol, XLogP of 3.50, 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-chlorophenol is sourced from PubChem (CID 25010105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).