1,1,1-trifluoro-2-(1-fluoroethenoxy)propane

C5H6F4O — CID 20612572

IUPAC1,1,1-trifluoro-2-(1-fluoroethenoxy)propane
SMILESC=C(F)OC(C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(5(7,8)9)10-4(2)6/h3H,2H2,1H3
InChIKeyUSEJSLUEGWYNGR-UHFFFAOYSA-N
MW158.09 g/mol
LogP2.39
Rot. Bonds2

About 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane

1,1,1-trifluoro-2-(1-fluoroethenoxy)propane (PubChem CID 20612572) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-fluoroethenoxy)propane
PubChem CID20612572
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name1,1,1-trifluoro-2-(1-fluoroethenoxy)propane
SMILESC=C(F)OC(C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(5(7,8)9)10-4(2)6/h3H,2H2,1H3
InChIKeyUSEJSLUEGWYNGR-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.39
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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Related Compounds

Hexafluoroisopropyl methyl ether
CID 25749
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yloxy)butane
CID 23236386
2-(2,2-Difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 20738946
1-Fluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 21640493
1,1,1-Trifluoro-2-(fluoromethoxy)propane
CID 22897880
2-Ethenoxy-1,1,1,3,3,3-hexafluoropropane
CID 23167563
3-Ethenoxy-1,1,1,2,2,4,4,5-octafluoropentane
CID 53642174
3-Ethenoxy-1,1,1,2,2,4,4,5,5-nonafluoropentane
CID 53668434
2-Ethenoxy-1,3,3-trifluorobutane
CID 53679537
2-Ethenoxy-1,1,1,4,4-pentafluorobutane
CID 53707517
2-Ethenoxy-1,1,1,3,4,4-hexafluorobutane
CID 53710517

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane?
The IUPAC name of 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane (CID 20612572) is 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane?
The canonical SMILES for 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane is C=C(F)OC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane?
The InChIKey is USEJSLUEGWYNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3(5(7,8)9)10-4(2)6/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane?
1,1,1-trifluoro-2-(1-fluoroethenoxy)propane has a molecular weight of 158.09 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1-fluoroethenoxy)propane is sourced from PubChem (CID 20612572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).