2-ethoxy-1,1,1-trifluoropentane

C7H13F3O — CID 23198266

IUPAC2-ethoxy-1,1,1-trifluoropentane
SMILESCCCC(OCC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-5-6(11-4-2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyXRUYXZGZBYWLLQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds4

About 2-ethoxy-1,1,1-trifluoropentane

2-ethoxy-1,1,1-trifluoropentane (PubChem CID 23198266) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-ethoxy-1,1,1-trifluoropentane.

Molecular Properties

Compound Name2-ethoxy-1,1,1-trifluoropentane
PubChem CID23198266
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2-ethoxy-1,1,1-trifluoropentane
SMILESCCCC(OCC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-5-6(11-4-2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyXRUYXZGZBYWLLQ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Difluormethyl-ather
CID 10464348
Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
Ethoxyhex a-fluorobutane
CID 53855163
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619
1-(2,2,2-Trifluoro-ethoxy)-pentane
CID 12643281
2-(Difluoromethyl)oxolane
CID 9989261
2-(2,2,2-Trifluoroethoxy)butane
CID 14024100
2-(Difluoromethoxy)propane
CID 14400534
2-Butoxy-1,1-difluorocyclopropane
CID 15062440
Butyl 2,2-difluoropropyl ether
CID 15062441
3-(2,2,2-Trifluoroethoxy)hexane
CID 15806351

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1-trifluoropentane?
The IUPAC name of 2-ethoxy-1,1,1-trifluoropentane (CID 23198266) is 2-ethoxy-1,1,1-trifluoropentane.
What is the SMILES notation for 2-ethoxy-1,1,1-trifluoropentane?
The canonical SMILES for 2-ethoxy-1,1,1-trifluoropentane is CCCC(OCC)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1-trifluoropentane?
The InChIKey is XRUYXZGZBYWLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-5-6(11-4-2)7(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-1,1,1-trifluoropentane?
2-ethoxy-1,1,1-trifluoropentane has a molecular weight of 170.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1-trifluoropentane is sourced from PubChem (CID 23198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).