4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine

C11H7F6N3O — CID 102723646

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine
SMILESNc1nc(OC(C(F)(F)F)C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C11H7F6N3O/c12-10(13,14)8(11(15,16)17)21-7-5-3-1-2-4-6(5)19-9(18)20-7/h1-4,8H,(H2,18,19,20)
InChIKeyRJKANNNKNUCCHB-UHFFFAOYSA-N
MW311.19 g/mol
LogP3.08
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine (PubChem CID 102723646) has the molecular formula C11H7F6N3O and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine
PubChem CID102723646
Molecular FormulaC11H7F6N3O
Molecular Weight311.19 g/mol
Exact Mass311.05
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine
SMILESNc1nc(OC(C(F)(F)F)C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C11H7F6N3O/c12-10(13,14)8(11(15,16)17)21-7-5-3-1-2-4-6(5)19-9(18)20-7/h1-4,8H,(H2,18,19,20)
InChIKeyRJKANNNKNUCCHB-UHFFFAOYSA-N
XLogP3.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine (CID 102723646) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine is Nc1nc(OC(C(F)(F)F)C(F)(F)F)c2ccccc2n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine?
The InChIKey is RJKANNNKNUCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3O/c12-10(13,14)8(11(15,16)17)21-7-5-3-1-2-4-6(5)19-9(18)20-7/h1-4,8H,(H2,18,19,20).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine has a molecular weight of 311.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine is sourced from PubChem (CID 102723646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).