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

C11H11F3N2O2 — CID 102089657

IUPAC(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=Nc2ccccc2N[C@](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/t10-/m1/s1
InChIKeyUTAAPSAPBFDOHU-SNVBAGLBSA-N
MW260.21 g/mol
LogP2.43
Rot. Bonds

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

(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol (PubChem CID 102089657) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol.

Molecular Properties

Compound Name(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
PubChem CID102089657
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
SMILESCOC1=Nc2ccccc2N[C@](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/t10-/m1/s1
InChIKeyUTAAPSAPBFDOHU-SNVBAGLBSA-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 (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The IUPAC name of (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol (CID 102089657) is (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol.
What is the SMILES notation for (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The canonical SMILES for (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol is COC1=Nc2ccccc2N[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
The InChIKey is UTAAPSAPBFDOHU-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol?
(2R)-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 (2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol is sourced from PubChem (CID 102089657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).