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

C23H27F2NO4 — CID 70823271

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-2-methyl-3,4-dihydrochromen-2-yl)-2-hydroxyethyl]amino]ethanol
SMILESCC1(C(O)CNCC(O)C2CCc3cc(F)ccc3O2)CCc2cc(F)ccc2O1
InChIInChI=1S/C23H27F2NO4/c1-23(9-8-15-11-17(25)4-7-20(15)30-23)22(28)13-26-12-18(27)21-5-2-14-10-16(24)3-6-19(14)29-21/h3-4,6-7,10-11,18,21-22,26-28H,2,5,8-9,12-13H2,1H3
InChIKeyPOWOPKRLXSYVJR-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.75
Rot. Bonds6

About 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

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 (PubChem CID 70823271) has the molecular formula C23H27F2NO4 and a molecular weight of 419.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-2-methyl-3,4-dihydrochromen-2-yl)-2-hydroxyethyl]amino]ethanol
PubChem CID70823271
Molecular FormulaC23H27F2NO4
Molecular Weight419.47 g/mol
Exact Mass419.19
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-2-methyl-3,4-dihydrochromen-2-yl)-2-hydroxyethyl]amino]ethanol
SMILESCC1(C(O)CNCC(O)C2CCc3cc(F)ccc3O2)CCc2cc(F)ccc2O1
InChIInChI=1S/C23H27F2NO4/c1-23(9-8-15-11-17(25)4-7-20(15)30-23)22(28)13-26-12-18(27)21-5-2-14-10-16(24)3-6-19(14)29-21/h3-4,6-7,10-11,18,21-22,26-28H,2,5,8-9,12-13H2,1H3
InChIKeyPOWOPKRLXSYVJR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C(O)CNCC(O)C2CCc3cc(F)ccc3O2)CCc2cc(F)ccc2O1.
What is the InChIKey of 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?
The InChIKey is POWOPKRLXSYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO4/c1-23(9-8-15-11-17(25)4-7-20(15)30-23)22(28)13-26-12-18(27)21-5-2-14-10-16(24)3-6-19(14)29-21/h3-4,6-7,10-11,18,21-22,26-28H,2,5,8-9,12-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 419.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70823271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).