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

C16H15ClFNO2 — CID 25010283

IUPAC3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-15-4-2-11(20)7-13(15)14-6-10(18)5-9-1-3-12(8-19)21-16(9)14/h2,4-7,12,20H,1,3,8,19H2/t12-/m1/s1
InChIKeyUOEKNUFLAXPGCW-GFCCVEGCSA-N
MW307.75 g/mol
LogP3.50
Rot. Bonds2

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

3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol (PubChem CID 25010283) 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]-4-chlorophenol.

Molecular Properties

Compound Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol
PubChem CID25010283
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol
SMILESNC[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1
InChIInChI=1S/C16H15ClFNO2/c17-15-4-2-11(20)7-13(15)14-6-10(18)5-9-1-3-12(8-19)21-16(9)14/h2,4-7,12,20H,1,3,8,19H2/t12-/m1/s1
InChIKeyUOEKNUFLAXPGCW-GFCCVEGCSA-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]-4-chlorophenol?
The IUPAC name of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol (CID 25010283) is 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol.
What is the SMILES notation for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol?
The canonical SMILES for 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol is NC[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1.
What is the InChIKey of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol?
The InChIKey is UOEKNUFLAXPGCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-15-4-2-11(20)7-13(15)14-6-10(18)5-9-1-3-12(8-19)21-16(9)14/h2,4-7,12,20H,1,3,8,19H2/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol?
3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-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]-4-chlorophenol is sourced from PubChem (CID 25010283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).