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

C10H11F3N2O — CID 118357752

IUPAC9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1C1CC1C2O
InChIInChI=1S/C10H11F3N2O/c1-2-15-7-4-3-5(4)8(16)6(7)9(14-15)10(11,12)13/h4-5,8,16H,2-3H2,1H3
InChIKeyBQYMVKDAMAWPQA-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.07
Rot. Bonds1

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

9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol (PubChem CID 118357752) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol.

Molecular Properties

Compound Name9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
PubChem CID118357752
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1C1CC1C2O
InChIInChI=1S/C10H11F3N2O/c1-2-15-7-4-3-5(4)8(16)6(7)9(14-15)10(11,12)13/h4-5,8,16H,2-3H2,1H3
InChIKeyBQYMVKDAMAWPQA-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol?
The IUPAC name of 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol (CID 118357752) is 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol.
What is the SMILES notation for 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol?
The canonical SMILES for 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol is CCn1nc(C(F)(F)F)c2c1C1CC1C2O.
What is the InChIKey of 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol?
The InChIKey is BQYMVKDAMAWPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-2-15-7-4-3-5(4)8(16)6(7)9(14-15)10(11,12)13/h4-5,8,16H,2-3H2,1H3.
What are the key properties of 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol?
9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol has a molecular weight of 232.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol is sourced from PubChem (CID 118357752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).