2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid

C12H11F3N4O2 — CID 56956854

IUPAC2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccc2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N4.C2HF3O2/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9;3-2(4,5)1(6)7/h1-6H,(H4,11,12,13,14);(H,6,7)
InChIKeyYFSWHJWXYQNXBQ-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.77
Rot. Bonds1

About 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid

2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid (PubChem CID 56956854) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid
PubChem CID56956854
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccc2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N4.C2HF3O2/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9;3-2(4,5)1(6)7/h1-6H,(H4,11,12,13,14);(H,6,7)
InChIKeyYFSWHJWXYQNXBQ-UHFFFAOYSA-N
XLogP1.77
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 174627542
quinoline-2-carboxamide;hydrobromide
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CID 172804982
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
2-[4-(aminomethyl)phenyl]guanidine;bis(2,2,2-trifluoroacetic acid)
CID 22010103
9-methylsulfanylacridine;2,2,2-trifluoroacetic acid
CID 71410508
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid (CID 56956854) is 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid is NC(N)=Nc1ccc2ccccc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The InChIKey is YFSWHJWXYQNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.C2HF3O2/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9;3-2(4,5)1(6)7/h1-6H,(H4,11,12,13,14);(H,6,7).
What are the key properties of 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid?
2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid has a molecular weight of 300.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56956854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).