4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine

C11H10F3N3O — CID 80878281

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
SMILESCC(Oc1nc(N)nc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-6(11(12,13)14)18-9-7-4-2-3-5-8(7)16-10(15)17-9/h2-6H,1H3,(H2,15,16,17)
InChIKeySJLHHPGSWRLMSK-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.54
Rot. Bonds2

About 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine

4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine (PubChem CID 80878281) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
PubChem CID80878281
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
SMILESCC(Oc1nc(N)nc2ccccc12)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-6(11(12,13)14)18-9-7-4-2-3-5-8(7)16-10(15)17-9/h2-6H,1H3,(H2,15,16,17)
InChIKeySJLHHPGSWRLMSK-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine (CID 80878281) is 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine is CC(Oc1nc(N)nc2ccccc12)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine?
The InChIKey is SJLHHPGSWRLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6(11(12,13)14)18-9-7-4-2-3-5-8(7)16-10(15)17-9/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine?
4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine is sourced from PubChem (CID 80878281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).