[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine

C16H16FNO2S — CID 143450934

IUPAC[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2ccc(S(=O)c3cccc(F)c3)cc2O1
InChIInChI=1S/C16H16FNO2S/c17-12-2-1-3-14(8-12)21(19)15-7-5-11-4-6-13(10-18)20-16(11)9-15/h1-3,5,7-9,13H,4,6,10,18H2/t13-,21?/m1/s1
InChIKeyYOBHOZXTZJCRJL-ILRUXTBWSA-N
MW305.37 g/mol
LogP2.64
Rot. Bonds3

About [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 143450934) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID143450934
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2ccc(S(=O)c3cccc(F)c3)cc2O1
InChIInChI=1S/C16H16FNO2S/c17-12-2-1-3-14(8-12)21(19)15-7-5-11-4-6-13(10-18)20-16(11)9-15/h1-3,5,7-9,13H,4,6,10,18H2/t13-,21?/m1/s1
InChIKeyYOBHOZXTZJCRJL-ILRUXTBWSA-N
XLogP2.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 143450934) is [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2ccc(S(=O)c3cccc(F)c3)cc2O1.
What is the InChIKey of [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is YOBHOZXTZJCRJL-ILRUXTBWSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-12-2-1-3-14(8-12)21(19)15-7-5-11-4-6-13(10-18)20-16(11)9-15/h1-3,5,7-9,13H,4,6,10,18H2/t13-,21?/m1/s1.
What are the key properties of [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 305.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(3-fluorophenyl)sulfinyl-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 143450934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).