6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline

C17H13ClFNO — CID 107691122

IUPAC6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CCl)ccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H13ClFNO/c18-10-12-4-6-17(15(19)9-12)21-11-13-3-5-16-14(8-13)2-1-7-20-16/h1-9H,10-11H2
InChIKeyZVPHYJRVGVPNEP-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.69
Rot. Bonds4

About 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline

6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline (PubChem CID 107691122) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline.

Molecular Properties

Compound Name6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
PubChem CID107691122
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
SMILESFc1cc(CCl)ccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H13ClFNO/c18-10-12-4-6-17(15(19)9-12)21-11-13-3-5-16-14(8-13)2-1-7-20-16/h1-9H,10-11H2
InChIKeyZVPHYJRVGVPNEP-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

6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691442
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The IUPAC name of 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline (CID 107691122) is 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline.
What is the SMILES notation for 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The canonical SMILES for 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline is Fc1cc(CCl)ccc1OCc1ccc2ncccc2c1.
What is the InChIKey of 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
The InChIKey is ZVPHYJRVGVPNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-10-12-4-6-17(15(19)9-12)21-11-13-3-5-16-14(8-13)2-1-7-20-16/h1-9H,10-11H2.
What are the key properties of 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline?
6-[[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 6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline is sourced from PubChem (CID 107691122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).