2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline

C10F17N — CID 23192226

IUPAC2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline
SMILESFC1=C(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)N1C(F)(F)F
InChIInChI=1S/C10F17N/c11-1-2(12)28(10(25,26)27)9(24)4(15,3(1,13)14)5(16,17)6(18,19)7(20,21)8(9,22)23
InChIKeyJNFHISYTQDJVLW-UHFFFAOYSA-N
MW457.08 g/mol
LogP5.49
Rot. Bonds

About 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline

2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline (PubChem CID 23192226) has the molecular formula C10F17N and a molecular weight of 457.08 g/mol. Its IUPAC name is 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline
PubChem CID23192226
Molecular FormulaC10F17N
Molecular Weight457.08 g/mol
Exact Mass456.98
IUPAC Name2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline
SMILESFC1=C(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)N1C(F)(F)F
InChIInChI=1S/C10F17N/c11-1-2(12)28(10(25,26)27)9(24)4(15,3(1,13)14)5(16,17)6(18,19)7(20,21)8(9,22)23
InChIKeyJNFHISYTQDJVLW-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.08
LogP ≤ 55.49
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 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline?
The IUPAC name of 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline (CID 23192226) is 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline.
What is the SMILES notation for 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline?
The canonical SMILES for 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline is FC1=C(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)N1C(F)(F)F.
What is the InChIKey of 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline?
The InChIKey is JNFHISYTQDJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F17N/c11-1-2(12)28(10(25,26)27)9(24)4(15,3(1,13)14)5(16,17)6(18,19)7(20,21)8(9,22)23.
What are the key properties of 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline?
2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline has a molecular weight of 457.08 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,4a,5,5,6,6,7,7,8,8,8a-tetradecafluoro-1-(trifluoromethyl)quinoline is sourced from PubChem (CID 23192226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).