2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane

C6H12F3O2P — CID 6421638

IUPAC2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
SMILESCCOP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C6H12F3O2P/c1-3-11-12(10,4-2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyYTYLUKBFDSJHMV-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.88
Rot. Bonds4

About 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane

2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane (PubChem CID 6421638) has the molecular formula C6H12F3O2P and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
PubChem CID6421638
Molecular FormulaC6H12F3O2P
Molecular Weight204.13 g/mol
Exact Mass204.05
IUPAC Name2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
SMILESCCOP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C6H12F3O2P/c1-3-11-12(10,4-2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyYTYLUKBFDSJHMV-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.88
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 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane?
The IUPAC name of 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane (CID 6421638) is 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane is CCOP(=O)(CC)CC(F)(F)F.
What is the InChIKey of 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane?
The InChIKey is YTYLUKBFDSJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3O2P/c1-3-11-12(10,4-2)5-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane?
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane has a molecular weight of 204.13 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane is sourced from PubChem (CID 6421638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).