4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol

C11H11F3N2O2 — CID 101455488

IUPAC4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=CC(O)(C(F)(F)F)Nc2ccccc2N1
InChIInChI=1S/C11H11F3N2O2/c1-18-9-6-10(17,11(12,13)14)16-8-5-3-2-4-7(8)15-9/h2-6,15-17H,1H3
InChIKeyQWJUCCKFTYROKH-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.26
Rot. Bonds1

About 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol

4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol (PubChem CID 101455488) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol
PubChem CID101455488
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=CC(O)(C(F)(F)F)Nc2ccccc2N1
InChIInChI=1S/C11H11F3N2O2/c1-18-9-6-10(17,11(12,13)14)16-8-5-3-2-4-7(8)15-9/h2-6,15-17H,1H3
InChIKeyQWJUCCKFTYROKH-UHFFFAOYSA-N
XLogP2.26
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol (CID 101455488) is 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol is COC1=CC(O)(C(F)(F)F)Nc2ccccc2N1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol?
The InChIKey is QWJUCCKFTYROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-18-9-6-10(17,11(12,13)14)16-8-5-3-2-4-7(8)15-9/h2-6,15-17H,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol?
4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol has a molecular weight of 260.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-2-ol is sourced from PubChem (CID 101455488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).