4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol

C24H29F3N2O2 — CID 10410664

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
SMILESCN1CCN(CC(O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H29F3N2O2/c1-22(2,18-8-6-7-17-11-14-31-21(17)18)15-23(30,24(25,26)27)16-29-13-12-28(3)19-9-4-5-10-20(19)29/h4-10,30H,11-16H2,1-3H3
InChIKeyKDNVUPSZZMPRCW-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.54
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol

4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol (PubChem CID 10410664) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
PubChem CID10410664
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
SMILESCN1CCN(CC(O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)c2ccccc21
InChIInChI=1S/C24H29F3N2O2/c1-22(2,18-8-6-7-17-11-14-31-21(17)18)15-23(30,24(25,26)27)16-29-13-12-28(3)19-9-4-5-10-20(19)29/h4-10,30H,11-16H2,1-3H3
InChIKeyKDNVUPSZZMPRCW-UHFFFAOYSA-N
XLogP4.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol (CID 10410664) is 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol is CN1CCN(CC(O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)c2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol?
The InChIKey is KDNVUPSZZMPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-22(2,18-8-6-7-17-11-14-31-21(17)18)15-23(30,24(25,26)27)16-29-13-12-28(3)19-9-4-5-10-20(19)29/h4-10,30H,11-16H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol?
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol has a molecular weight of 434.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol is sourced from PubChem (CID 10410664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).