2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane

C13H16ClFO2 — CID 70568995

IUPAC2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane
SMILESFc1ccccc1COCC1CCC(CCl)O1
InChIInChI=1S/C13H16ClFO2/c14-7-11-5-6-12(17-11)9-16-8-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2
InChIKeyJEBVEJKYHMBLGK-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.13
Rot. Bonds5

About 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane

2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane (PubChem CID 70568995) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane
PubChem CID70568995
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane
SMILESFc1ccccc1COCC1CCC(CCl)O1
InChIInChI=1S/C13H16ClFO2/c14-7-11-5-6-12(17-11)9-16-8-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2
InChIKeyJEBVEJKYHMBLGK-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.13
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

[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
CID 63937792
(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
CID 142540579
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
CID 62300450
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63937397

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane?
The IUPAC name of 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane (CID 70568995) is 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane.
What is the SMILES notation for 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane?
The canonical SMILES for 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane is Fc1ccccc1COCC1CCC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane?
The InChIKey is JEBVEJKYHMBLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c14-7-11-5-6-12(17-11)9-16-8-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2.
What are the key properties of 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane?
2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane has a molecular weight of 258.72 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane is sourced from PubChem (CID 70568995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).