1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane

C8H13F3 — CID 121274275

IUPAC1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane
SMILESCCC1(C)CC1CC(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-7(2)4-6(7)5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeySOJHGSWJXPKQBK-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.38
Rot. Bonds2

About 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane

1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane (PubChem CID 121274275) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane
PubChem CID121274275
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane
SMILESCCC1(C)CC1CC(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-7(2)4-6(7)5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeySOJHGSWJXPKQBK-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane (CID 121274275) is 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane is CCC1(C)CC1CC(F)(F)F.
What is the InChIKey of 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane?
The InChIKey is SOJHGSWJXPKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-3-7(2)4-6(7)5-8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane?
1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane has a molecular weight of 166.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane is sourced from PubChem (CID 121274275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).