2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen

C11H16FNO2 — CID 145188563

IUPAC2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
SMILESNCC(O)C1CCc2cc(F)ccc2O1.[H][H]
InChIInChI=1S/C11H14FNO2.H2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13;/h2,4-5,9,11,14H,1,3,6,13H2;1H
InChIKeyUHGCLCPHLDVLHX-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen

2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen (PubChem CID 145188563) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
PubChem CID145188563
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
SMILESNCC(O)C1CCc2cc(F)ccc2O1.[H][H]
InChIInChI=1S/C11H14FNO2.H2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13;/h2,4-5,9,11,14H,1,3,6,13H2;1H
InChIKeyUHGCLCPHLDVLHX-UHFFFAOYSA-N
XLogP1.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(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
lithium tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide
CID 16689382
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
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
CID 58795145
CID 58795145
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
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
[(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen?
The IUPAC name of 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen (CID 145188563) is 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen.
What is the SMILES notation for 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen?
The canonical SMILES for 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen is NCC(O)C1CCc2cc(F)ccc2O1.[H][H].
What is the InChIKey of 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen?
The InChIKey is UHGCLCPHLDVLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2.H2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13;/h2,4-5,9,11,14H,1,3,6,13H2;1H.
What are the key properties of 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen?
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen has a molecular weight of 213.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen is sourced from PubChem (CID 145188563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).