1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene

C10H11F4O2P — CID 66797107

IUPAC1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene
SMILESCCOP(=O)(CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C10H11F4O2P/c1-2-16-17(15,7-10(12,13)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeyKBYKCOWMKLMIDO-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.33
Rot. Bonds4

About 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene

1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene (PubChem CID 66797107) has the molecular formula C10H11F4O2P and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene
PubChem CID66797107
Molecular FormulaC10H11F4O2P
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene
SMILESCCOP(=O)(CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C10H11F4O2P/c1-2-16-17(15,7-10(12,13)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeyKBYKCOWMKLMIDO-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene?
The IUPAC name of 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene (CID 66797107) is 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene.
What is the SMILES notation for 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene?
The canonical SMILES for 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene is CCOP(=O)(CC(F)(F)F)c1ccccc1F.
What is the InChIKey of 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene?
The InChIKey is KBYKCOWMKLMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4O2P/c1-2-16-17(15,7-10(12,13)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3.
What are the key properties of 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene?
1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene has a molecular weight of 270.16 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene is sourced from PubChem (CID 66797107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).