(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene

C9H7F5N2 — CID 166972228

IUPAC(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
SMILESFC(F)(F)c1n[nH]c2c1C1CC[C@H]1C2(F)F
InChIInChI=1S/C9H7F5N2/c10-8(11)4-2-1-3(4)5-6(8)15-16-7(5)9(12,13)14/h3-4H,1-2H2,(H,15,16)/t3?,4-/m1/s1
InChIKeyDIXQCMKLFOBPIJ-SRBOSORUSA-N
MW238.16 g/mol
LogP3.03
Rot. Bonds

About (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene

(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene (PubChem CID 166972228) has the molecular formula C9H7F5N2 and a molecular weight of 238.16 g/mol. Its IUPAC name is (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene.

Molecular Properties

Compound Name(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
PubChem CID166972228
Molecular FormulaC9H7F5N2
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
SMILESFC(F)(F)c1n[nH]c2c1C1CC[C@H]1C2(F)F
InChIInChI=1S/C9H7F5N2/c10-8(11)4-2-1-3(4)5-6(8)15-16-7(5)9(12,13)14/h3-4H,1-2H2,(H,15,16)/t3?,4-/m1/s1
InChIKeyDIXQCMKLFOBPIJ-SRBOSORUSA-N
XLogP3.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The IUPAC name of (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene (CID 166972228) is (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene.
What is the SMILES notation for (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The canonical SMILES for (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene is FC(F)(F)c1n[nH]c2c1C1CC[C@H]1C2(F)F.
What is the InChIKey of (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The InChIKey is DIXQCMKLFOBPIJ-SRBOSORUSA-N. The full InChI is InChI=1S/C9H7F5N2/c10-8(11)4-2-1-3(4)5-6(8)15-16-7(5)9(12,13)14/h3-4H,1-2H2,(H,15,16)/t3?,4-/m1/s1.
What are the key properties of (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
(5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene has a molecular weight of 238.16 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene is sourced from PubChem (CID 166972228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).