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

C10H5ClF5N3 — CID 64983527

IUPAC6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESNc1nc(C(F)(F)C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H5ClF5N3/c11-4-1-2-6-5(3-4)7(17)19-8(18-6)9(12,13)10(14,15)16/h1-3H,(H2,17,18,19)
InChIKeyLYEREMVDWNSAFT-UHFFFAOYSA-N
MW297.61 g/mol
LogP3.52
Rot. Bonds1

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

6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (PubChem CID 64983527) has the molecular formula C10H5ClF5N3 and a molecular weight of 297.61 g/mol. Its IUPAC name is 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
PubChem CID64983527
Molecular FormulaC10H5ClF5N3
Molecular Weight297.61 g/mol
Exact Mass297.01
IUPAC Name6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESNc1nc(C(F)(F)C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H5ClF5N3/c11-4-1-2-6-5(3-4)7(17)19-8(18-6)9(12,13)10(14,15)16/h1-3H,(H2,17,18,19)
InChIKeyLYEREMVDWNSAFT-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 53.52
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-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (CID 64983527) is 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is Nc1nc(C(F)(F)C(F)(F)F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The InChIKey is LYEREMVDWNSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF5N3/c11-4-1-2-6-5(3-4)7(17)19-8(18-6)9(12,13)10(14,15)16/h1-3H,(H2,17,18,19).
What are the key properties of 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine has a molecular weight of 297.61 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 64983527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).