2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol

C23H27F2NO4 — CID 143273810

IUPAC2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol
SMILESOC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCC2=C(C=CCC(F)=C2)O1
InChIInChI=1S/C23H27F2NO4/c24-16-2-1-3-20-14(10-16)4-7-22(29-20)18(27)12-26-13-19(28)23-8-5-15-11-17(25)6-9-21(15)30-23/h1,3,6,9-11,18-19,22-23,26-28H,2,4-5,7-8,12-13H2
InChIKeyVBUWDFJTLZQTOH-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.08
Rot. Bonds6

About 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol

2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol (PubChem CID 143273810) has the molecular formula C23H27F2NO4 and a molecular weight of 419.47 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol.

Molecular Properties

Compound Name2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol
PubChem CID143273810
Molecular FormulaC23H27F2NO4
Molecular Weight419.47 g/mol
Exact Mass419.19
IUPAC Name2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol
SMILESOC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCC2=C(C=CCC(F)=C2)O1
InChIInChI=1S/C23H27F2NO4/c24-16-2-1-3-20-14(10-16)4-7-22(29-20)18(27)12-26-13-19(28)23-8-5-15-11-17(25)6-9-21(15)30-23/h1,3,6,9-11,18-19,22-23,26-28H,2,4-5,7-8,12-13H2
InChIKeyVBUWDFJTLZQTOH-UHFFFAOYSA-N
XLogP3.08
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol with MolForge

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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
(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
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
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
(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
(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
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 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol?
The IUPAC name of 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol (CID 143273810) is 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol.
What is the SMILES notation for 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol?
The canonical SMILES for 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol is OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCC2=C(C=CCC(F)=C2)O1.
What is the InChIKey of 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol?
The InChIKey is VBUWDFJTLZQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO4/c24-16-2-1-3-20-14(10-16)4-7-22(29-20)18(27)12-26-13-19(28)23-8-5-15-11-17(25)6-9-21(15)30-23/h1,3,6,9-11,18-19,22-23,26-28H,2,4-5,7-8,12-13H2.
What are the key properties of 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol?
2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol has a molecular weight of 419.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-2,3,4,7-tetrahydrocyclohepta[b]pyran-2-yl)ethanol is sourced from PubChem (CID 143273810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).