8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

C11H8F5N3 — CID 64983638

IUPAC8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCc1cccc2c(N)nc(C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C11H8F5N3/c1-5-3-2-4-6-7(5)18-9(19-8(6)17)10(12,13)11(14,15)16/h2-4H,1H3,(H2,17,18,19)
InChIKeyYADGMHXUTQZQPB-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.17
Rot. Bonds1

About 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (PubChem CID 64983638) has the molecular formula C11H8F5N3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
PubChem CID64983638
Molecular FormulaC11H8F5N3
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCc1cccc2c(N)nc(C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C11H8F5N3/c1-5-3-2-4-6-7(5)18-9(19-8(6)17)10(12,13)11(14,15)16/h2-4H,1H3,(H2,17,18,19)
InChIKeyYADGMHXUTQZQPB-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The IUPAC name of 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (CID 64983638) is 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The canonical SMILES for 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is Cc1cccc2c(N)nc(C(F)(F)C(F)(F)F)nc12.
What is the InChIKey of 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The InChIKey is YADGMHXUTQZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3/c1-5-3-2-4-6-7(5)18-9(19-8(6)17)10(12,13)11(14,15)16/h2-4H,1H3,(H2,17,18,19).
What are the key properties of 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine has a molecular weight of 277.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 64983638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).