N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine

C15H7F6N3 — CID 110434764

IUPACN-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)nc3c(F)cccc23)c(F)c1
InChIInChI=1S/C15H7F6N3/c16-7-4-5-11(10(18)6-7)22-13-8-2-1-3-9(17)12(8)23-14(24-13)15(19,20)21/h1-6H,(H,22,23,24)
InChIKeyILWCXTYYEMQYOE-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.81
Rot. Bonds2

About N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine

N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110434764) has the molecular formula C15H7F6N3 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110434764
Molecular FormulaC15H7F6N3
Molecular Weight343.23 g/mol
Exact Mass343.05
IUPAC NameN-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)nc3c(F)cccc23)c(F)c1
InChIInChI=1S/C15H7F6N3/c16-7-4-5-11(10(18)6-7)22-13-8-2-1-3-9(17)12(8)23-14(24-13)15(19,20)21/h1-6H,(H,22,23,24)
InChIKeyILWCXTYYEMQYOE-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 110433572
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072340
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine (CID 110434764) is N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine is Fc1ccc(Nc2nc(C(F)(F)F)nc3c(F)cccc23)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is ILWCXTYYEMQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3/c16-7-4-5-11(10(18)6-7)22-13-8-2-1-3-9(17)12(8)23-14(24-13)15(19,20)21/h1-6H,(H,22,23,24).
What are the key properties of N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110434764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).