2-bromo-8-(2,2,2-trifluoroethoxy)quinoline

C11H7BrF3NO — CID 102941206

IUPAC2-bromo-8-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1cccc2ccc(Br)nc12
InChIInChI=1S/C11H7BrF3NO/c12-9-5-4-7-2-1-3-8(10(7)16-9)17-6-11(13,14)15/h1-5H,6H2
InChIKeyZZRMELRTNZMSDT-UHFFFAOYSA-N
MW306.08 g/mol
LogP3.94
Rot. Bonds2

About 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline

2-bromo-8-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 102941206) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name2-bromo-8-(2,2,2-trifluoroethoxy)quinoline
PubChem CID102941206
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name2-bromo-8-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1cccc2ccc(Br)nc12
InChIInChI=1S/C11H7BrF3NO/c12-9-5-4-7-2-1-3-8(10(7)16-9)17-6-11(13,14)15/h1-5H,6H2
InChIKeyZZRMELRTNZMSDT-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline 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-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine
CID 63232155
1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
CID 156587176
4-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
CID 138573152
2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203397
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760
8-(2,2,2-trifluoroethoxy)-3H-quinazolin-4-one
CID 136677425
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
CID 175341725
CID 175341725
2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
CID 154667088
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline (CID 102941206) is 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline is FC(F)(F)COc1cccc2ccc(Br)nc12.
What is the InChIKey of 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is ZZRMELRTNZMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c12-9-5-4-7-2-1-3-8(10(7)16-9)17-6-11(13,14)15/h1-5H,6H2.
What are the key properties of 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline?
2-bromo-8-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 306.08 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 102941206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).