2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

C11H10ClF3O2 — CID 102548141

IUPAC2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESFC(F)(F)C(OCC1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF3O2/c12-8-3-1-7(2-4-8)10(11(13,14)15)17-6-9-5-16-9/h1-4,9-10H,5-6H2
InChIKeyIVWDTHJKJYYBRA-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.36
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (PubChem CID 102548141) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
PubChem CID102548141
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESFC(F)(F)C(OCC1CO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF3O2/c12-8-3-1-7(2-4-8)10(11(13,14)15)17-6-9-5-16-9/h1-4,9-10H,5-6H2
InChIKeyIVWDTHJKJYYBRA-UHFFFAOYSA-N
XLogP3.36
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548175
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]methyl]oxirane
CID 97179834
(2S)-2-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179850
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179964
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethoxy]methyl]oxirane
CID 97179906
(2R)-2-[[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethoxy]methyl]oxirane
CID 97179827
(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179899
(2S)-2-[[(1S)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179821
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
2-[[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]methyl]oxirane
CID 102548145
(2R)-2-[[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]methyl]oxirane
CID 97179832
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethoxy]methyl]oxirane
CID 97179986

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (CID 102548141) is 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is FC(F)(F)C(OCC1CO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The InChIKey is IVWDTHJKJYYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c12-8-3-1-7(2-4-8)10(11(13,14)15)17-6-9-5-16-9/h1-4,9-10H,5-6H2.
What are the key properties of 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane has a molecular weight of 266.65 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is sourced from PubChem (CID 102548141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).