4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol

C11H11F3N2O2 — CID 42598748

IUPAC4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=Nc2ccccc2NC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2/c1-18-9-6-10(17,11(12,13)14)16-8-5-3-2-4-7(8)15-9/h2-5,16-17H,6H2,1H3
InChIKeyUTAAPSAPBFDOHU-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.43
Rot. Bonds

About 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol

4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol (PubChem CID 42598748) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
PubChem CID42598748
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=Nc2ccccc2NC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2/c1-18-9-6-10(17,11(12,13)14)16-8-5-3-2-4-7(8)15-9/h2-5,16-17H,6H2,1H3
InChIKeyUTAAPSAPBFDOHU-UHFFFAOYSA-N
XLogP2.43
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol (CID 42598748) is 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol is COC1=Nc2ccccc2NC(O)(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The InChIKey is UTAAPSAPBFDOHU-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/h2-5,16-17H,6H2,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol has a molecular weight of 260.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol is sourced from PubChem (CID 42598748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).