2-chloro-8-(trifluoromethyl)quinazolin-4-amine

C9H5ClF3N3 — CID 34181622

IUPAC2-chloro-8-(trifluoromethyl)quinazolin-4-amine
SMILESNc1nc(Cl)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C9H5ClF3N3/c10-8-15-6-4(7(14)16-8)2-1-3-5(6)9(11,12)13/h1-3H,(H2,14,15,16)
InChIKeyDAUOCNLXXKUALB-UHFFFAOYSA-N
MW247.61 g/mol
LogP2.88
Rot. Bonds

About 2-chloro-8-(trifluoromethyl)quinazolin-4-amine

2-chloro-8-(trifluoromethyl)quinazolin-4-amine (PubChem CID 34181622) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 2-chloro-8-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-8-(trifluoromethyl)quinazolin-4-amine
PubChem CID34181622
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name2-chloro-8-(trifluoromethyl)quinazolin-4-amine
SMILESNc1nc(Cl)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C9H5ClF3N3/c10-8-15-6-4(7(14)16-8)2-1-3-5(6)9(11,12)13/h1-3H,(H2,14,15,16)
InChIKeyDAUOCNLXXKUALB-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
CID 122693971
3-chloro-7-(trifluoromethyl)-2H-indazole
CID 105476798
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
4-chloro-8-(trifluoromethyl)cinnoline
CID 68581409
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
CID 115063049
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-8-(trifluoromethyl)quinazolin-4-amine (CID 34181622) is 2-chloro-8-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-8-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-8-(trifluoromethyl)quinazolin-4-amine is Nc1nc(Cl)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-chloro-8-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is DAUOCNLXXKUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c10-8-15-6-4(7(14)16-8)2-1-3-5(6)9(11,12)13/h1-3H,(H2,14,15,16).
What are the key properties of 2-chloro-8-(trifluoromethyl)quinazolin-4-amine?
2-chloro-8-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 247.61 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 34181622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).