4-methylquinoline;2,2,2-trifluoroacetic acid

C12H10F3NO2 — CID 13347765

IUPAC4-methylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1ccnc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C10H9N.C2HF3O2/c1-8-6-7-11-10-5-3-2-4-9(8)10;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7)
InChIKeyRFNYVZFDHXXQBP-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.18
Rot. Bonds

About 4-methylquinoline;2,2,2-trifluoroacetic acid

4-methylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 13347765) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-methylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methylquinoline;2,2,2-trifluoroacetic acid
PubChem CID13347765
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name4-methylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1ccnc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C10H9N.C2HF3O2/c1-8-6-7-11-10-5-3-2-4-9(8)10;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7)
InChIKeyRFNYVZFDHXXQBP-UHFFFAOYSA-N
XLogP3.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methylquinoline;2,2,2-trifluoroacetic acid (CID 13347765) is 4-methylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methylquinoline;2,2,2-trifluoroacetic acid is Cc1ccnc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is RFNYVZFDHXXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2HF3O2/c1-8-6-7-11-10-5-3-2-4-9(8)10;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7).
What are the key properties of 4-methylquinoline;2,2,2-trifluoroacetic acid?
4-methylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 257.21 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 13347765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).