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

C10H9F3O2 — CID 14516934

IUPAC2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-6-7-2-4-8(5-3-7)9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKeyGXVXGSYZAHKUHX-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.58
Rot. Bonds3

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

2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone (PubChem CID 14516934) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone
PubChem CID14516934
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-6-7-2-4-8(5-3-7)9(14)10(11,12)13/h2-5H,6H2,1H3
InChIKeyGXVXGSYZAHKUHX-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl Benzoate
CID 7150
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
Propyl Benzoate
CID 16846
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Methyl 4-methylbenzoate
CID 7455
Dibutyl terephthalate
CID 16066
Isopropyl Benzoate
CID 13654
Methyl 4-Formylbenzoate
CID 15294
Octyl benzoate
CID 66751
3-Methylbut-3-enyl benzoate
CID 521364

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone (CID 14516934) is 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone is COCc1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone?
The InChIKey is GXVXGSYZAHKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-6-7-2-4-8(5-3-7)9(14)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone?
2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 14516934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).