1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone

C10H8ClF3O3 — CID 75529973

IUPAC1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
SMILESCOCOc1ccc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-16-5-17-8-3-2-6(11)4-7(8)9(15)10(12,13)14/h2-4H,5H2,1H3
InChIKeyMOWXSUDMCDBKPG-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.07
Rot. Bonds4

About 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone

1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone (PubChem CID 75529973) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
PubChem CID75529973
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
SMILESCOCOc1ccc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-16-5-17-8-3-2-6(11)4-7(8)9(15)10(12,13)14/h2-4H,5H2,1H3
InChIKeyMOWXSUDMCDBKPG-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 164895048
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
methyl 3-[5-chloro-2-(methoxymethoxy)phenyl]prop-2-ynoate
CID 71524370
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
CID 146015296
1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
CID 69018130
1-(2-amino-5-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 15923091
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 90122845
(E)-3-(4-chlorophenyl)-3-[2-(methoxymethoxy)-5-methylphenyl]prop-2-enoic acid
CID 146175405

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone (CID 75529973) is 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone is COCOc1ccc(Cl)cc1C(=O)C(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is MOWXSUDMCDBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-16-5-17-8-3-2-6(11)4-7(8)9(15)10(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 268.62 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 75529973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).