7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline

C15H6F5IN2 — CID 175869452

IUPAC7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline
SMILESFc1ccc(-c2c(C(F)(F)F)cc3cncnc3c2I)c(F)c1
InChIInChI=1S/C15H6F5IN2/c16-8-1-2-9(11(17)4-8)12-10(15(18,19)20)3-7-5-22-6-23-14(7)13(12)21/h1-6H
InChIKeyHUWMOMCUPFPGIE-UHFFFAOYSA-N
MW436.12 g/mol
LogP5.20
Rot. Bonds1

About 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline

7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline (PubChem CID 175869452) has the molecular formula C15H6F5IN2 and a molecular weight of 436.12 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline
PubChem CID175869452
Molecular FormulaC15H6F5IN2
Molecular Weight436.12 g/mol
Exact Mass435.95
IUPAC Name7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline
SMILESFc1ccc(-c2c(C(F)(F)F)cc3cncnc3c2I)c(F)c1
InChIInChI=1S/C15H6F5IN2/c16-8-1-2-9(11(17)4-8)12-10(15(18,19)20)3-7-5-22-6-23-14(7)13(12)21/h1-6H
InChIKeyHUWMOMCUPFPGIE-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.12
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline?
The IUPAC name of 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline (CID 175869452) is 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline.
What is the SMILES notation for 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline?
The canonical SMILES for 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline is Fc1ccc(-c2c(C(F)(F)F)cc3cncnc3c2I)c(F)c1.
What is the InChIKey of 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline?
The InChIKey is HUWMOMCUPFPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F5IN2/c16-8-1-2-9(11(17)4-8)12-10(15(18,19)20)3-7-5-22-6-23-14(7)13(12)21/h1-6H.
What are the key properties of 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline?
7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline has a molecular weight of 436.12 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-8-iodo-6-(trifluoromethyl)quinazoline is sourced from PubChem (CID 175869452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).