(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol

C22H24F2N2O4 — CID 143613101

IUPAC(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol
SMILESO=NC(CNC[C@H](O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C22H24F2N2O4/c23-15-3-7-19-13(9-15)1-5-21(29-19)17(26-28)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)30-22/h3-4,7-10,17-18,21-22,25,27H,1-2,5-6,11-12H2/t17?,18-,21?,22?/m0/s1
InChIKeyAWYYHAKNSHFJGK-PBWJLWFUSA-N
MW418.44 g/mol
LogP3.14
Rot. Bonds7

About (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol

(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol (PubChem CID 143613101) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol
PubChem CID143613101
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol
SMILESO=NC(CNC[C@H](O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C22H24F2N2O4/c23-15-3-7-19-13(9-15)1-5-21(29-19)17(26-28)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)30-22/h3-4,7-10,17-18,21-22,25,27H,1-2,5-6,11-12H2/t17?,18-,21?,22?/m0/s1
InChIKeyAWYYHAKNSHFJGK-PBWJLWFUSA-N
XLogP3.14
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;oxalic acid
CID 54759293
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);methane;hydrochloride;hydroiodide
CID 159463823
2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 58409721
(1R)-2-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 67337423
(2R,4R)-6-fluoro-2-[(1R)-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol
CID 124786283
lithium tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide
CID 16689382
N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide
CID 171390029
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-2-methyl-3,4-dihydrochromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 70823271

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol?
The IUPAC name of (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol (CID 143613101) is (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol?
The canonical SMILES for (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol is O=NC(CNC[C@H](O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1.
What is the InChIKey of (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol?
The InChIKey is AWYYHAKNSHFJGK-PBWJLWFUSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c23-15-3-7-19-13(9-15)1-5-21(29-19)17(26-28)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)30-22/h3-4,7-10,17-18,21-22,25,27H,1-2,5-6,11-12H2/t17?,18-,21?,22?/m0/s1.
What are the key properties of (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol?
(1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol has a molecular weight of 418.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-nitrosoethyl]amino]ethanol is sourced from PubChem (CID 143613101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).