9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

C11H14F2N2 — CID 90162122

IUPAC9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCC(C)n1nc(C(F)F)c2c1CC1CC21
InChIInChI=1S/C11H14F2N2/c1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyTVJLAMUYCTZFQH-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.06
Rot. Bonds2

About 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 90162122) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID90162122
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCC(C)n1nc(C(F)F)c2c1CC1CC21
InChIInChI=1S/C11H14F2N2/c1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13/h5-7,11H,3-4H2,1-2H3
InChIKeyTVJLAMUYCTZFQH-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 90162122) is 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is CC(C)n1nc(C(F)F)c2c1CC1CC21.
What is the InChIKey of 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is TVJLAMUYCTZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-5(2)15-8-4-6-3-7(6)9(8)10(14-15)11(12)13/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 212.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 90162122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).