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

C9H8F4N2 — CID 90167678

IUPAC9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCn1nc(C(F)F)c2c1C(F)(F)C1CC21
InChIInChI=1S/C9H8F4N2/c1-15-7-5(6(14-15)8(10)11)3-2-4(3)9(7,12)13/h3-4,8H,2H2,1H3
InChIKeyRHWJBOGUAPDADH-UHFFFAOYSA-N
MW220.17 g/mol
LogP2.57
Rot. Bonds1

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

9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 90167678) has the molecular formula C9H8F4N2 and a molecular weight of 220.17 g/mol. Its IUPAC name is 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID90167678
Molecular FormulaC9H8F4N2
Molecular Weight220.17 g/mol
Exact Mass220.06
IUPAC Name9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCn1nc(C(F)F)c2c1C(F)(F)C1CC21
InChIInChI=1S/C9H8F4N2/c1-15-7-5(6(14-15)8(10)11)3-2-4(3)9(7,12)13/h3-4,8H,2H2,1H3
InChIKeyRHWJBOGUAPDADH-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 90167678) is 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is Cn1nc(C(F)F)c2c1C(F)(F)C1CC21.
What is the InChIKey of 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is RHWJBOGUAPDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2/c1-15-7-5(6(14-15)8(10)11)3-2-4(3)9(7,12)13/h3-4,8H,2H2,1H3.
What are the key properties of 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 220.17 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 90167678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).