1-(1,2,2-trifluoroethenoxy)propane

C5H7F3O — CID 14151089

IUPAC1-(1,2,2-trifluoroethenoxy)propane
SMILESCCCOC(F)=C(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2-3H2,1H3
InChIKeyOYPIGFUBEOGSBR-UHFFFAOYSA-N
MW140.10 g/mol
LogP2.45
Rot. Bonds3

About 1-(1,2,2-trifluoroethenoxy)propane

1-(1,2,2-trifluoroethenoxy)propane (PubChem CID 14151089) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenoxy)propane
PubChem CID14151089
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name1-(1,2,2-trifluoroethenoxy)propane
SMILESCCCOC(F)=C(F)F
InChIInChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2-3H2,1H3
InChIKeyOYPIGFUBEOGSBR-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1-(1,2,2-trifluoroethenoxy)propane (CID 14151089) is 1-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1-(1,2,2-trifluoroethenoxy)propane is CCCOC(F)=C(F)F.
What is the InChIKey of 1-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is OYPIGFUBEOGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-3-9-5(8)4(6)7/h2-3H2,1H3.
What are the key properties of 1-(1,2,2-trifluoroethenoxy)propane?
1-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 140.10 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 14151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).