4-chloro-2-(trifluoromethyl)quinazoline

C9H4ClF3N2 — CID 1475435

IUPAC4-chloro-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyDLJSNOYNVQOJLU-UHFFFAOYSA-N
MW232.59 g/mol
LogP3.30
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)quinazoline

4-chloro-2-(trifluoromethyl)quinazoline (PubChem CID 1475435) has the molecular formula C9H4ClF3N2 and a molecular weight of 232.59 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)quinazoline
PubChem CID1475435
Molecular FormulaC9H4ClF3N2
Molecular Weight232.59 g/mol
Exact Mass232.00
IUPAC Name4-chloro-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyDLJSNOYNVQOJLU-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-chloro-2-(trifluoromethyl)quinazoline (CID 1475435) is 4-chloro-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)quinazoline?
The InChIKey is DLJSNOYNVQOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H.
What are the key properties of 4-chloro-2-(trifluoromethyl)quinazoline?
4-chloro-2-(trifluoromethyl)quinazoline has a molecular weight of 232.59 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 1475435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).