CID 58795145

C23H26F2NO3 — CID 58795145

IUPAC—
SMILESC[C@H](C[N]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C23H26F2NO3/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/h4-5,8-11,14,19-20,23,27H,2-3,6-7,12-13H2,1H3/t14-,19-,20?,23+/m1/s1
InChIKeyGVETVJUUBJIONJ-XDFXPXTESA-N
MW402.46 g/mol
LogP3.65
Rot. Bonds6

About CID 58795145

CID 58795145 (PubChem CID 58795145) has the molecular formula C23H26F2NO3 and a molecular weight of 402.46 g/mol.

Molecular Properties

Compound NameCID 58795145
PubChem CID58795145
Molecular FormulaC23H26F2NO3
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name—
SMILESC[C@H](C[N]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C23H26F2NO3/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/h4-5,8-11,14,19-20,23,27H,2-3,6-7,12-13H2,1H3/t14-,19-,20?,23+/m1/s1
InChIKeyGVETVJUUBJIONJ-XDFXPXTESA-N
XLogP3.65
TPSA52.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
CID 145188563
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(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
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
(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
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
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
lithium tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide
CID 16689382
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

Frequently Asked Questions

What is the IUPAC name of CID 58795145?
The IUPAC name of CID 58795145 (CID 58795145) is not available.
What is the SMILES notation for CID 58795145?
The canonical SMILES for CID 58795145 is C[C@H](C[N]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1.
What is the InChIKey of CID 58795145?
The InChIKey is GVETVJUUBJIONJ-XDFXPXTESA-N. The full InChI is InChI=1S/C23H26F2NO3/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/h4-5,8-11,14,19-20,23,27H,2-3,6-7,12-13H2,1H3/t14-,19-,20?,23+/m1/s1.
What are the key properties of CID 58795145?
CID 58795145 has a molecular weight of 402.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58795145 is sourced from PubChem (CID 58795145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).