8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine

C10H7F4N3 — CID 89487428

IUPAC8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
SMILESFc1cccc2c(NCC(F)(F)F)ncnc12
InChIInChI=1S/C10H7F4N3/c11-7-3-1-2-6-8(7)16-5-17-9(6)15-4-10(12,13)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyREKWPHYHCDKAPZ-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.74
Rot. Bonds2

About 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine

8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine (PubChem CID 89487428) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
PubChem CID89487428
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
SMILESFc1cccc2c(NCC(F)(F)F)ncnc12
InChIInChI=1S/C10H7F4N3/c11-7-3-1-2-6-8(7)16-5-17-9(6)15-4-10(12,13)14/h1-3,5H,4H2,(H,15,16,17)
InChIKeyREKWPHYHCDKAPZ-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine (CID 89487428) is 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine is Fc1cccc2c(NCC(F)(F)F)ncnc12.
What is the InChIKey of 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The InChIKey is REKWPHYHCDKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c11-7-3-1-2-6-8(7)16-5-17-9(6)15-4-10(12,13)14/h1-3,5H,4H2,(H,15,16,17).
What are the key properties of 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine has a molecular weight of 245.18 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 89487428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).