8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline

C10H3BrClF5N2 — CID 114590811

IUPAC8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
SMILESFC(F)(F)C(F)(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C10H3BrClF5N2/c11-5-3-1-2-4-6(5)18-8(19-7(4)12)9(13,14)10(15,16)17/h1-3H
InChIKeyUJVMMJTZXYSQOZ-UHFFFAOYSA-N
MW361.50 g/mol
LogP4.70
Rot. Bonds1

About 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline

8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline (PubChem CID 114590811) has the molecular formula C10H3BrClF5N2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
PubChem CID114590811
Molecular FormulaC10H3BrClF5N2
Molecular Weight361.50 g/mol
Exact Mass359.91
IUPAC Name8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
SMILESFC(F)(F)C(F)(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C10H3BrClF5N2/c11-5-3-1-2-4-6(5)18-8(19-7(4)12)9(13,14)10(15,16)17/h1-3H
InChIKeyUJVMMJTZXYSQOZ-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
CID 34176296
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784
4,6,8-trichloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 63086208
8-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590763
2-(8-bromo-4-chloroquinazolin-2-yl)ethanamine
CID 84813864
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
8-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64983638
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64981637
6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64980921

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline (CID 114590811) is 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline is FC(F)(F)C(F)(F)c1nc(Cl)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
The InChIKey is UJVMMJTZXYSQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClF5N2/c11-5-3-1-2-4-6(5)18-8(19-7(4)12)9(13,14)10(15,16)17/h1-3H.
What are the key properties of 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline?
8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline has a molecular weight of 361.50 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline is sourced from PubChem (CID 114590811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).