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

C10H12F2N2 — CID 135215759

IUPAC9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCn1nc(C(F)F)c2c1CC1CC21
InChIInChI=1S/C10H12F2N2/c1-2-14-7-4-5-3-6(5)8(7)9(13-14)10(11)12/h5-6,10H,2-4H2,1H3
InChIKeyGNVFBYASIIXEHP-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.50
Rot. Bonds2

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

9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 135215759) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID135215759
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCn1nc(C(F)F)c2c1CC1CC21
InChIInChI=1S/C10H12F2N2/c1-2-14-7-4-5-3-6(5)8(7)9(13-14)10(11)12/h5-6,10H,2-4H2,1H3
InChIKeyGNVFBYASIIXEHP-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 135215759) is 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is CCn1nc(C(F)F)c2c1CC1CC21.
What is the InChIKey of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is GNVFBYASIIXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-2-14-7-4-5-3-6(5)8(7)9(13-14)10(11)12/h5-6,10H,2-4H2,1H3.
What are the key properties of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 198.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 135215759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).