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

C9H10F2N2O — CID 90167968

IUPAC9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCn1nc(C(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C9H10F2N2O/c1-13-7-5(6(12-13)9(10)11)3-2-4(3)8(7)14/h3-4,8-9,14H,2H2,1H3
InChIKeyLBMZLDZMYJSZJZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.51
Rot. Bonds1

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

9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (PubChem CID 90167968) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.

Molecular Properties

Compound Name9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
PubChem CID90167968
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCn1nc(C(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C9H10F2N2O/c1-13-7-5(6(12-13)9(10)11)3-2-4(3)8(7)14/h3-4,8-9,14H,2H2,1H3
InChIKeyLBMZLDZMYJSZJZ-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The IUPAC name of 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (CID 90167968) is 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.
What is the SMILES notation for 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The canonical SMILES for 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is Cn1nc(C(F)F)c2c1C(O)C1CC21.
What is the InChIKey of 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The InChIKey is LBMZLDZMYJSZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-13-7-5(6(12-13)9(10)11)3-2-4(3)8(7)14/h3-4,8-9,14H,2H2,1H3.
What are the key properties of 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol has a molecular weight of 200.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is sourced from PubChem (CID 90167968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).