[8-(trifluoromethyl)quinazolin-4-yl]methanamine

C10H8F3N3 — CID 105484372

IUPAC[8-(trifluoromethyl)quinazolin-4-yl]methanamine
SMILESNCc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6-8(4-14)15-5-16-9(6)7/h1-3,5H,4,14H2
InChIKeyNBDVJTTYDXQVRQ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.11
Rot. Bonds1

About [8-(trifluoromethyl)quinazolin-4-yl]methanamine

[8-(trifluoromethyl)quinazolin-4-yl]methanamine (PubChem CID 105484372) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is [8-(trifluoromethyl)quinazolin-4-yl]methanamine.

Molecular Properties

Compound Name[8-(trifluoromethyl)quinazolin-4-yl]methanamine
PubChem CID105484372
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name[8-(trifluoromethyl)quinazolin-4-yl]methanamine
SMILESNCc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6-8(4-14)15-5-16-9(6)7/h1-3,5H,4,14H2
InChIKeyNBDVJTTYDXQVRQ-UHFFFAOYSA-N
XLogP2.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(trifluoromethyl)quinazolin-4-yl]methanamine?
The IUPAC name of [8-(trifluoromethyl)quinazolin-4-yl]methanamine (CID 105484372) is [8-(trifluoromethyl)quinazolin-4-yl]methanamine.
What is the SMILES notation for [8-(trifluoromethyl)quinazolin-4-yl]methanamine?
The canonical SMILES for [8-(trifluoromethyl)quinazolin-4-yl]methanamine is NCc1ncnc2c(C(F)(F)F)cccc12.
What is the InChIKey of [8-(trifluoromethyl)quinazolin-4-yl]methanamine?
The InChIKey is NBDVJTTYDXQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6-8(4-14)15-5-16-9(6)7/h1-3,5H,4,14H2.
What are the key properties of [8-(trifluoromethyl)quinazolin-4-yl]methanamine?
[8-(trifluoromethyl)quinazolin-4-yl]methanamine has a molecular weight of 227.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(trifluoromethyl)quinazolin-4-yl]methanamine is sourced from PubChem (CID 105484372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).