1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane

C8H13F3 — CID 121274136

IUPAC1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane
SMILESCCC1(C(C)C)C(F)C1(F)F
InChIInChI=1S/C8H13F3/c1-4-7(5(2)3)6(9)8(7,10)11/h5-6H,4H2,1-3H3
InChIKeyOFWDIMKTRNJBLP-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.03
Rot. Bonds2

About 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane

1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane (PubChem CID 121274136) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane
PubChem CID121274136
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane
SMILESCCC1(C(C)C)C(F)C1(F)F
InChIInChI=1S/C8H13F3/c1-4-7(5(2)3)6(9)8(7,10)11/h5-6H,4H2,1-3H3
InChIKeyOFWDIMKTRNJBLP-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane?
The IUPAC name of 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane (CID 121274136) is 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane.
What is the SMILES notation for 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane?
The canonical SMILES for 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane is CCC1(C(C)C)C(F)C1(F)F.
What is the InChIKey of 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane?
The InChIKey is OFWDIMKTRNJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-4-7(5(2)3)6(9)8(7,10)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane?
1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane has a molecular weight of 166.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane is sourced from PubChem (CID 121274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).