7-[4-(chloromethyl)-2-fluorophenoxy]quinoline

C16H11ClFNO — CID 107314176

IUPAC7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
SMILESFc1cc(CCl)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11ClFNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyAEMNWSXMEKPVCC-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.91
Rot. Bonds3

About 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline

7-[4-(chloromethyl)-2-fluorophenoxy]quinoline (PubChem CID 107314176) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline.

Molecular Properties

Compound Name7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
PubChem CID107314176
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
SMILESFc1cc(CCl)ccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H11ClFNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyAEMNWSXMEKPVCC-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.91
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

7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691442
2-(4-methyl-3-quinolin-7-yloxyphenyl)ethanamine
CID 107315468
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648
5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
CID 107313172
7-(3-fluoro-2-nitrophenoxy)quinoline
CID 107313631
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
4-(chloromethyl)-2-fluoro-1-(4-nitrophenoxy)benzene
CID 54915517

Frequently Asked Questions

What is the IUPAC name of 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline?
The IUPAC name of 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline (CID 107314176) is 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline.
What is the SMILES notation for 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline?
The canonical SMILES for 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline is Fc1cc(CCl)ccc1Oc1ccc2cccnc2c1.
What is the InChIKey of 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline?
The InChIKey is AEMNWSXMEKPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2.
What are the key properties of 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline?
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline has a molecular weight of 287.72 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(chloromethyl)-2-fluorophenoxy]quinoline is sourced from PubChem (CID 107314176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).