7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

C9H9F3N2O — CID 90167558

IUPAC7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCn1nc(C(F)(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C9H9F3N2O/c1-14-6-5(3-2-4(3)7(6)15)8(13-14)9(10,11)12/h3-4,7,15H,2H2,1H3
InChIKeyLQLCAIAOGSSJAS-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.59
Rot. Bonds

About 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (PubChem CID 90167558) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.

Molecular Properties

Compound Name7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
PubChem CID90167558
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCn1nc(C(F)(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C9H9F3N2O/c1-14-6-5(3-2-4(3)7(6)15)8(13-14)9(10,11)12/h3-4,7,15H,2H2,1H3
InChIKeyLQLCAIAOGSSJAS-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The IUPAC name of 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (CID 90167558) is 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.
What is the SMILES notation for 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The canonical SMILES for 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is Cn1nc(C(F)(F)F)c2c1C(O)C1CC21.
What is the InChIKey of 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The InChIKey is LQLCAIAOGSSJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-14-6-5(3-2-4(3)7(6)15)8(13-14)9(10,11)12/h3-4,7,15H,2H2,1H3.
What are the key properties of 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol has a molecular weight of 218.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is sourced from PubChem (CID 90167558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).