2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone

C11H11F3O3 — CID 14709558

IUPAC2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
SMILESCOCOCc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O3/c1-16-7-17-6-8-2-4-9(5-3-8)10(15)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFLIRXYPMHYOUJX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.55
Rot. Bonds5

About 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone

2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone (PubChem CID 14709558) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
PubChem CID14709558
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
SMILESCOCOCc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O3/c1-16-7-17-6-8-2-4-9(5-3-8)10(15)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFLIRXYPMHYOUJX-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225663
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone (CID 14709558) is 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone is COCOCc1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone?
The InChIKey is FLIRXYPMHYOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-16-7-17-6-8-2-4-9(5-3-8)10(15)11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone?
2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone is sourced from PubChem (CID 14709558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).