1-(2,2,2-trifluoroethoxy)propane

C5H9F3O — CID 14024097

IUPAC1-(2,2,2-trifluoroethoxy)propane
SMILESCCCOCC(F)(F)F
InChIInChI=1S/C5H9F3O/c1-2-3-9-4-5(6,7)8/h2-4H2,1H3
InChIKeyZQTROQKELIVMCG-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.98
Rot. Bonds3

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

1-(2,2,2-trifluoroethoxy)propane (PubChem CID 14024097) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)propane
PubChem CID14024097
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1-(2,2,2-trifluoroethoxy)propane
SMILESCCCOCC(F)(F)F
InChIInChI=1S/C5H9F3O/c1-2-3-9-4-5(6,7)8/h2-4H2,1H3
InChIKeyZQTROQKELIVMCG-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethoxynonafluorobutane
CID 206000
2-Ethoxy-1,1,1-trifluoroethane
CID 10003
1-Ethoxy-1,1,2,2-tetrafluoroethane
CID 120272
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
Ethyl perfluoroisobutyl ether
CID 205999
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
2-(1,1-Difluoroethoxy)-1,1,1-trifluoroethane
CID 11840937
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
Bis(2,2,3,3-tetrafluoropropyl)ether
CID 12824699
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)propane (CID 14024097) is 1-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)propane is CCCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)propane?
The InChIKey is ZQTROQKELIVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-2-3-9-4-5(6,7)8/h2-4H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)propane?
1-(2,2,2-trifluoroethoxy)propane has a molecular weight of 142.12 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 14024097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).