3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane

C15H20ClFO2 — CID 107691461

IUPAC3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(Oc2ccc(CCl)cc2F)C(C)(C)O1
InChIInChI=1S/C15H20ClFO2/c1-14(2)8-13(15(3,4)19-14)18-12-6-5-10(9-16)7-11(12)17/h5-7,13H,8-9H2,1-4H3
InChIKeyDKTLXSQQNQXGLR-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.29
Rot. Bonds3

About 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane

3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane (PubChem CID 107691461) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane.

Molecular Properties

Compound Name3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
PubChem CID107691461
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
SMILESCC1(C)CC(Oc2ccc(CCl)cc2F)C(C)(C)O1
InChIInChI=1S/C15H20ClFO2/c1-14(2)8-13(15(3,4)19-14)18-12-6-5-10(9-16)7-11(12)17/h5-7,13H,8-9H2,1-4H3
InChIKeyDKTLXSQQNQXGLR-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.29
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-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
CID 107098657
3-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]-2,2,5,5-tetramethyloxolane
CID 114621665
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
3-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 114623612
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621141
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146
3-[2-(3-chloroprop-1-ynyl)phenoxy]-2,2,5,5-tetramethyloxolane
CID 114623599
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane?
The IUPAC name of 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane (CID 107691461) is 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane.
What is the SMILES notation for 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane?
The canonical SMILES for 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane is CC1(C)CC(Oc2ccc(CCl)cc2F)C(C)(C)O1.
What is the InChIKey of 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane?
The InChIKey is DKTLXSQQNQXGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-14(2)8-13(15(3,4)19-14)18-12-6-5-10(9-16)7-11(12)17/h5-7,13H,8-9H2,1-4H3.
What are the key properties of 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane?
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane has a molecular weight of 286.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane is sourced from PubChem (CID 107691461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).