6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine

C10H6ClF4N3 — CID 79659764

IUPAC6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
SMILESNc1nc(C(F)(F)C(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF4N3/c11-4-1-2-6-5(3-4)7(16)18-9(17-6)10(14,15)8(12)13/h1-3,8H,(H2,16,17,18)
InChIKeySUNJODMHZMDKFC-UHFFFAOYSA-N
MW279.62 g/mol
LogP3.22
Rot. Bonds2

About 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine

6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine (PubChem CID 79659764) has the molecular formula C10H6ClF4N3 and a molecular weight of 279.62 g/mol. Its IUPAC name is 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
PubChem CID79659764
Molecular FormulaC10H6ClF4N3
Molecular Weight279.62 g/mol
Exact Mass279.02
IUPAC Name6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
SMILESNc1nc(C(F)(F)C(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H6ClF4N3/c11-4-1-2-6-5(3-4)7(16)18-9(17-6)10(14,15)8(12)13/h1-3,8H,(H2,16,17,18)
InChIKeySUNJODMHZMDKFC-UHFFFAOYSA-N
XLogP3.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.62
LogP ≤ 53.22
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 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine (CID 79659764) is 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine is Nc1nc(C(F)(F)C(F)F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The InChIKey is SUNJODMHZMDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4N3/c11-4-1-2-6-5(3-4)7(16)18-9(17-6)10(14,15)8(12)13/h1-3,8H,(H2,16,17,18).
What are the key properties of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine has a molecular weight of 279.62 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 79659764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).