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

C12H17FN2 — CID 90162074

IUPAC7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESCC(F)c1nn(C(C)C)c2c1CC1CC21
InChIInChI=1S/C12H17FN2/c1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13/h6-9H,4-5H2,1-3H3
InChIKeyFWANPTQBSJNNAR-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.15
Rot. Bonds2

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

7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (PubChem CID 90162074) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

Molecular Properties

Compound Name7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
PubChem CID90162074
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESCC(F)c1nn(C(C)C)c2c1CC1CC21
InChIInChI=1S/C12H17FN2/c1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13/h6-9H,4-5H2,1-3H3
InChIKeyFWANPTQBSJNNAR-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The IUPAC name of 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (CID 90162074) is 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.
What is the SMILES notation for 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The canonical SMILES for 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is CC(F)c1nn(C(C)C)c2c1CC1CC21.
What is the InChIKey of 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The InChIKey is FWANPTQBSJNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene has a molecular weight of 208.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is sourced from PubChem (CID 90162074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).