(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

C11H14F2N2 — CID 166728273

IUPAC(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCC(C)Cn1ncc2c1C(F)(F)C1C[C@@H]21
InChIInChI=1S/C11H14F2N2/c1-6(2)5-15-10-8(4-14-15)7-3-9(7)11(10,12)13/h4,6-7,9H,3,5H2,1-2H3/t7-,9?/m0/s1
InChIKeyVULNBRSMQCVHHK-JAVCKPHESA-N
MW212.24 g/mol
LogP2.75
Rot. Bonds2

About (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 166728273) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID166728273
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCC(C)Cn1ncc2c1C(F)(F)C1C[C@@H]21
InChIInChI=1S/C11H14F2N2/c1-6(2)5-15-10-8(4-14-15)7-3-9(7)11(10,12)13/h4,6-7,9H,3,5H2,1-2H3/t7-,9?/m0/s1
InChIKeyVULNBRSMQCVHHK-JAVCKPHESA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 166728273) is (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is CC(C)Cn1ncc2c1C(F)(F)C1C[C@@H]21.
What is the InChIKey of (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is VULNBRSMQCVHHK-JAVCKPHESA-N. The full InChI is InChI=1S/C11H14F2N2/c1-6(2)5-15-10-8(4-14-15)7-3-9(7)11(10,12)13/h4,6-7,9H,3,5H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
(2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 212.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluoro-7-(2-methylpropyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 166728273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).