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

C9H10F2N2O — CID 90167960

IUPAC9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
SMILESCn1nc2c(c1C(F)F)C1CC1C2O
InChIInChI=1S/C9H10F2N2O/c1-13-7(9(10)11)5-3-2-4(3)8(14)6(5)12-13/h3-4,8-9,14H,2H2,1H3
InChIKeyWUJPVVRBQQSKHP-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.51
Rot. Bonds1

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

9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol (PubChem CID 90167960) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol.

Molecular Properties

Compound Name9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
PubChem CID90167960
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
SMILESCn1nc2c(c1C(F)F)C1CC1C2O
InChIInChI=1S/C9H10F2N2O/c1-13-7(9(10)11)5-3-2-4(3)8(14)6(5)12-13/h3-4,8-9,14H,2H2,1H3
InChIKeyWUJPVVRBQQSKHP-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

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

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Related Compounds

9-Propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
CID 71204355
9-(1,1-Difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 90162071
9-(Difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 90162103
7-Propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 90162771
9-(Difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol
CID 90162781
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90162782
7-Methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 90167558
9-Methyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
CID 90167828
9-(Difluoromethyl)-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 90167968
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90167987
9-Ethyl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-5-ol
CID 118357752
9-(Difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
CID 118357784

Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol?
The IUPAC name of 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol (CID 90167960) is 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol.
What is the SMILES notation for 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol?
The canonical SMILES for 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol is Cn1nc2c(c1C(F)F)C1CC1C2O.
What is the InChIKey of 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol?
The InChIKey is WUJPVVRBQQSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-13-7(9(10)11)5-3-2-4(3)8(14)6(5)12-13/h3-4,8-9,14H,2H2,1H3.
What are the key properties of 9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol?
9-(difluoromethyl)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-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)-8-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-ol is sourced from PubChem (CID 90167960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).