4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline

C9H3ClF4N2 — CID 34176284

IUPAC4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
SMILESFc1ccc2nc(C(F)(F)F)nc(Cl)c2c1
InChIInChI=1S/C9H3ClF4N2/c10-7-5-3-4(11)1-2-6(5)15-8(16-7)9(12,13)14/h1-3H
InChIKeyRZFQDYUIRJKGOA-UHFFFAOYSA-N
MW250.58 g/mol
LogP3.44
Rot. Bonds

About 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline

4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline (PubChem CID 34176284) has the molecular formula C9H3ClF4N2 and a molecular weight of 250.58 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
PubChem CID34176284
Molecular FormulaC9H3ClF4N2
Molecular Weight250.58 g/mol
Exact Mass249.99
IUPAC Name4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
SMILESFc1ccc2nc(C(F)(F)F)nc(Cl)c2c1
InChIInChI=1S/C9H3ClF4N2/c10-7-5-3-4(11)1-2-6(5)15-8(16-7)9(12,13)14/h1-3H
InChIKeyRZFQDYUIRJKGOA-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline (CID 34176284) is 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline is Fc1ccc2nc(C(F)(F)F)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline?
The InChIKey is RZFQDYUIRJKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF4N2/c10-7-5-3-4(11)1-2-6(5)15-8(16-7)9(12,13)14/h1-3H.
What are the key properties of 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline?
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline has a molecular weight of 250.58 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 34176284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).