6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

C16H16F4N2O2 — CID 46891904

IUPAC6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15FN2.C2HF3O2/c1-10-8-14(17-6-2-3-7-17)16-13-5-4-11(15)9-12(10)13;3-2(4,5)1(6)7/h4-5,8-9H,2-3,6-7H2,1H3;(H,6,7)
InChIKeyQRLVFEPLIRNXLX-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.92
Rot. Bonds1

About 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid

6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46891904) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46891904
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Name6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15FN2.C2HF3O2/c1-10-8-14(17-6-2-3-7-17)16-13-5-4-11(15)9-12(10)13;3-2(4,5)1(6)7/h4-5,8-9H,2-3,6-7H2,1H3;(H,6,7)
InChIKeyQRLVFEPLIRNXLX-UHFFFAOYSA-N
XLogP3.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid (CID 46891904) is 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is Cc1cc(N2CCCC2)nc2ccc(F)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is QRLVFEPLIRNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2.C2HF3O2/c1-10-8-14(17-6-2-3-7-17)16-13-5-4-11(15)9-12(10)13;3-2(4,5)1(6)7/h4-5,8-9H,2-3,6-7H2,1H3;(H,6,7).
What are the key properties of 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid?
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 344.31 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).