1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone

C10H7F5O3 — CID 164895048

IUPAC1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
SMILESCOCOc1cc(F)c(F)cc1C(=O)C(F)(F)F
InChIInChI=1S/C10H7F5O3/c1-17-4-18-8-3-7(12)6(11)2-5(8)9(16)10(13,14)15/h2-3H,4H2,1H3
InChIKeyKEEWLQFCUWKIAL-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.69
Rot. Bonds4

About 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone

1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone (PubChem CID 164895048) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
PubChem CID164895048
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
SMILESCOCOc1cc(F)c(F)cc1C(=O)C(F)(F)F
InChIInChI=1S/C10H7F5O3/c1-17-4-18-8-3-7(12)6(11)2-5(8)9(16)10(13,14)15/h2-3H,4H2,1H3
InChIKeyKEEWLQFCUWKIAL-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone (CID 164895048) is 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone is COCOc1cc(F)c(F)cc1C(=O)C(F)(F)F.
What is the InChIKey of 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is KEEWLQFCUWKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c1-17-4-18-8-3-7(12)6(11)2-5(8)9(16)10(13,14)15/h2-3H,4H2,1H3.
What are the key properties of 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone?
1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 270.15 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 164895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).