8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline

C18H13F5N2O2 — CID 139616704

IUPAC8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline
SMILESFc1cc(CCOc2ncnc3c(F)cccc23)ccc1OCC(F)(F)F
InChIInChI=1S/C18H13F5N2O2/c19-13-3-1-2-12-16(13)24-10-25-17(12)26-7-6-11-4-5-15(14(20)8-11)27-9-18(21,22)23/h1-5,8,10H,6-7,9H2
InChIKeyFKSUHBACCUGUGM-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.47
Rot. Bonds6

About 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline

8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline (PubChem CID 139616704) has the molecular formula C18H13F5N2O2 and a molecular weight of 384.30 g/mol. Its IUPAC name is 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline.

Molecular Properties

Compound Name8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline
PubChem CID139616704
Molecular FormulaC18H13F5N2O2
Molecular Weight384.30 g/mol
Exact Mass384.09
IUPAC Name8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline
SMILESFc1cc(CCOc2ncnc3c(F)cccc23)ccc1OCC(F)(F)F
InChIInChI=1S/C18H13F5N2O2/c19-13-3-1-2-12-16(13)24-10-25-17(12)26-7-6-11-4-5-15(14(20)8-11)27-9-18(21,22)23/h1-5,8,10H,6-7,9H2
InChIKeyFKSUHBACCUGUGM-UHFFFAOYSA-N
XLogP4.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-[2-(4-propylphenyl)ethoxy]quinazoline
CID 154480659
8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
CID 67619682
8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
CID 23196614
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
2-fluoro-4-(isocyanatomethyl)-1-(2,2,2-trifluoroethoxy)benzene
CID 160560707
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 89487428
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139870968
6-[2-(4-ethyl-2-fluorophenyl)ethyl]-1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139873187
5-but-3-enyl-2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139875585
4-(bromomethyl)-2-fluoro-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 107691649

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline?
The IUPAC name of 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline (CID 139616704) is 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline.
What is the SMILES notation for 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline?
The canonical SMILES for 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline is Fc1cc(CCOc2ncnc3c(F)cccc23)ccc1OCC(F)(F)F.
What is the InChIKey of 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline?
The InChIKey is FKSUHBACCUGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O2/c19-13-3-1-2-12-16(13)24-10-25-17(12)26-7-6-11-4-5-15(14(20)8-11)27-9-18(21,22)23/h1-5,8,10H,6-7,9H2.
What are the key properties of 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline?
8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline has a molecular weight of 384.30 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline is sourced from PubChem (CID 139616704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).