4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one

C10H7F3N2O — CID 173277461

IUPAC4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one
SMILESO=C1NC(C(F)(F)F)=Cc2ccccc2N1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-5-6-3-1-2-4-7(6)14-9(16)15-8/h1-5H,(H2,14,15,16)
InChIKeyRVERVKLNXFKUCW-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.72
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one

4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one (PubChem CID 173277461) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one
PubChem CID173277461
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one
SMILESO=C1NC(C(F)(F)F)=Cc2ccccc2N1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-5-6-3-1-2-4-7(6)14-9(16)15-8/h1-5H,(H2,14,15,16)
InChIKeyRVERVKLNXFKUCW-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one (CID 173277461) is 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one is O=C1NC(C(F)(F)F)=Cc2ccccc2N1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one?
The InChIKey is RVERVKLNXFKUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-5-6-3-1-2-4-7(6)14-9(16)15-8/h1-5H,(H2,14,15,16).
What are the key properties of 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one?
4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one has a molecular weight of 228.17 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazepin-2-one is sourced from PubChem (CID 173277461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).