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

C9H10F2N2 — CID 90167561

IUPAC7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESCn1nc(C(F)F)c2c1C1CC1C2
InChIInChI=1S/C9H10F2N2/c1-13-8-5-2-4(5)3-6(8)7(12-13)9(10)11/h4-5,9H,2-3H2,1H3
InChIKeyAYLCVDQLVUGVRL-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.02
Rot. Bonds1

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

7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (PubChem CID 90167561) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

Molecular Properties

Compound Name7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
PubChem CID90167561
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESCn1nc(C(F)F)c2c1C1CC1C2
InChIInChI=1S/C9H10F2N2/c1-13-8-5-2-4(5)3-6(8)7(12-13)9(10)11/h4-5,9H,2-3H2,1H3
InChIKeyAYLCVDQLVUGVRL-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The IUPAC name of 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (CID 90167561) is 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.
What is the SMILES notation for 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The canonical SMILES for 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is Cn1nc(C(F)F)c2c1C1CC1C2.
What is the InChIKey of 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The InChIKey is AYLCVDQLVUGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-13-8-5-2-4(5)3-6(8)7(12-13)9(10)11/h4-5,9H,2-3H2,1H3.
What are the key properties of 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene has a molecular weight of 184.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-9-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is sourced from PubChem (CID 90167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).