2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C10H12F3N3 — CID 62007698

IUPAC2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C10H12F3N3/c11-10(12,13)4-9-15-5-6-7(14)2-1-3-8(6)16-9/h5,7H,1-4,14H2
InChIKeyTVIOBXLHJZHEPH-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.92
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62007698) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62007698
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C10H12F3N3/c11-10(12,13)4-9-15-5-6-7(14)2-1-3-8(6)16-9/h5,7H,1-4,14H2
InChIKeyTVIOBXLHJZHEPH-UHFFFAOYSA-N
XLogP1.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62007698) is 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(CC(F)(F)F)ncc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is TVIOBXLHJZHEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)4-9-15-5-6-7(14)2-1-3-8(6)16-9/h5,7H,1-4,14H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 231.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62007698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).