2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline

C17H13ClFNO — CID 107691442

IUPAC2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CCl)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13ClFNO/c18-10-12-5-8-17(15(19)9-12)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11H2
InChIKeyRFOQQFFLHSSNJR-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.69
Rot. Bonds4

About 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline

2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline (PubChem CID 107691442) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
PubChem CID107691442
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CCl)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13ClFNO/c18-10-12-5-8-17(15(19)9-12)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11H2
InChIKeyRFOQQFFLHSSNJR-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.69
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

3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
CID 103850104
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline (CID 107691442) is 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline is Fc1cc(CCl)ccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The InChIKey is RFOQQFFLHSSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-10-12-5-8-17(15(19)9-12)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11H2.
What are the key properties of 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline has a molecular weight of 301.75 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline is sourced from PubChem (CID 107691442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).