1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine

C10F19N — CID 13477173

IUPAC1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine
SMILESFC(F)(F)C1(F)C(F)(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F19N/c11-1(8(23,24)25)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(28,29)30(7)9(1,26)27
InChIKeyYTHKQXBUURIOOD-UHFFFAOYSA-N
MW495.08 g/mol
LogP5.61
Rot. Bonds

About 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine

1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine (PubChem CID 13477173) has the molecular formula C10F19N and a molecular weight of 495.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine
PubChem CID13477173
Molecular FormulaC10F19N
Molecular Weight495.08 g/mol
Exact Mass494.97
IUPAC Name1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine
SMILESFC(F)(F)C1(F)C(F)(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F19N/c11-1(8(23,24)25)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(28,29)30(7)9(1,26)27
InChIKeyYTHKQXBUURIOOD-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.08
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine?
The IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine (CID 13477173) is 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine?
The canonical SMILES for 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine is FC(F)(F)C1(F)C(F)(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine?
The InChIKey is YTHKQXBUURIOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F19N/c11-1(8(23,24)25)2(12,13)4(16,17)7(22)5(18,19)3(14,15)6(20,21)10(28,29)30(7)9(1,26)27.
What are the key properties of 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine?
1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine has a molecular weight of 495.08 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine is sourced from PubChem (CID 13477173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).