[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium

C23H28F2NO3+ — CID 90890036

IUPAC[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium
SMILESC[C@H](C[NH2+]C[C@@H](O)C1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C23H27F2NO3/c1-14(20-6-2-15-10-17(24)4-8-21(15)28-20)12-26-13-19(27)23-7-3-16-11-18(25)5-9-22(16)29-23/h4-5,8-11,14,19-20,23,26-27H,2-3,6-7,12-13H2,1H3/p+1/t14-,19-,20+,23?/m1/s1
InChIKeyUFSIEUUVPIIMJK-QXERDWNZSA-O
MW404.48 g/mol
LogP2.61
Rot. Bonds6

About [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium

[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium (PubChem CID 90890036) has the molecular formula C23H28F2NO3+ and a molecular weight of 404.48 g/mol. Its IUPAC name is [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium
PubChem CID90890036
Molecular FormulaC23H28F2NO3+
Molecular Weight404.48 g/mol
Exact Mass404.20
IUPAC Name[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium
SMILESC[C@H](C[NH2+]C[C@@H](O)C1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C23H27F2NO3/c1-14(20-6-2-15-10-17(24)4-8-21(15)28-20)12-26-13-19(27)23-7-3-16-11-18(25)5-9-22(16)29-23/h4-5,8-11,14,19-20,23,26-27H,2-3,6-7,12-13H2,1H3/p+1/t14-,19-,20+,23?/m1/s1
InChIKeyUFSIEUUVPIIMJK-QXERDWNZSA-O
XLogP2.61
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium?
The IUPAC name of [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium (CID 90890036) is [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium.
What is the SMILES notation for [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium?
The canonical SMILES for [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium is C[C@H](C[NH2+]C[C@@H](O)C1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium?
The InChIKey is UFSIEUUVPIIMJK-QXERDWNZSA-O. The full InChI is InChI=1S/C23H27F2NO3/c1-14(20-6-2-15-10-17(24)4-8-21(15)28-20)12-26-13-19(27)23-7-3-16-11-18(25)5-9-22(16)29-23/h4-5,8-11,14,19-20,23,26-27H,2-3,6-7,12-13H2,1H3/p+1/t14-,19-,20+,23?/m1/s1.
What are the key properties of [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium?
[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium has a molecular weight of 404.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium is sourced from PubChem (CID 90890036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).