9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C9H7F3N2O — CID 156747002

IUPAC9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESO=c1cc(C(F)(F)F)nc2n1CC1CC21
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-2-7(15)14-3-4-1-5(4)8(14)13-6/h2,4-5H,1,3H2
InChIKeyMWJQNADSFUHYCQ-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.38
Rot. Bonds

About 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 156747002) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID156747002
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESO=c1cc(C(F)(F)F)nc2n1CC1CC21
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-2-7(15)14-3-4-1-5(4)8(14)13-6/h2,4-5H,1,3H2
InChIKeyMWJQNADSFUHYCQ-UHFFFAOYSA-N
XLogP1.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 156747002) is 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is O=c1cc(C(F)(F)F)nc2n1CC1CC21.
What is the InChIKey of 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is MWJQNADSFUHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)6-2-7(15)14-3-4-1-5(4)8(14)13-6/h2,4-5H,1,3H2.
What are the key properties of 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 216.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 156747002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).