8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline

C17H13BrFNO — CID 107691850

IUPAC8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CBr)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13BrFNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2
InChIKeyPAOBTMRYVSQIGO-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.85
Rot. Bonds4

About 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline

8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline (PubChem CID 107691850) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
PubChem CID107691850
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CBr)ccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13BrFNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2
InChIKeyPAOBTMRYVSQIGO-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
CID 107691509
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline?
The IUPAC name of 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline (CID 107691850) is 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline.
What is the SMILES notation for 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline?
The canonical SMILES for 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline is Fc1cc(CBr)ccc1OCc1cccc2cccnc12.
What is the InChIKey of 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline?
The InChIKey is PAOBTMRYVSQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-10-12-6-7-16(15(19)9-12)21-11-14-4-1-3-13-5-2-8-20-17(13)14/h1-9H,10-11H2.
What are the key properties of 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline?
8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline has a molecular weight of 346.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline is sourced from PubChem (CID 107691850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).