1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane

C6H12F3O3P — CID 13207015

IUPAC1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCC)C(F)(F)F
InChIInChI=1S/C6H12F3O3P/c1-3-5-12-13(10,11-4-2)6(7,8)9/h3-5H2,1-2H3
InChIKeyWHVIVPZAJVAVCQ-UHFFFAOYSA-N
MW220.13 g/mol
LogP3.16
Rot. Bonds5

About 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane

1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane (PubChem CID 13207015) has the molecular formula C6H12F3O3P and a molecular weight of 220.13 g/mol. Its IUPAC name is 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane
PubChem CID13207015
Molecular FormulaC6H12F3O3P
Molecular Weight220.13 g/mol
Exact Mass220.05
IUPAC Name1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCC)C(F)(F)F
InChIInChI=1S/C6H12F3O3P/c1-3-5-12-13(10,11-4-2)6(7,8)9/h3-5H2,1-2H3
InChIKeyWHVIVPZAJVAVCQ-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(trifluoromethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane (CID 13207015) is 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane is CCCOP(=O)(OCC)C(F)(F)F.
What is the InChIKey of 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane?
The InChIKey is WHVIVPZAJVAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3O3P/c1-3-5-12-13(10,11-4-2)6(7,8)9/h3-5H2,1-2H3.
What are the key properties of 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane?
1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane has a molecular weight of 220.13 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(trifluoromethyl)phosphoryl]oxypropane is sourced from PubChem (CID 13207015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).