1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane

C11H22F3N — CID 144977123

IUPAC1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane
SMILESCCC.CCN1CC(C(F)(F)F)CC1C
InChIInChI=1S/C8H14F3N.C3H8/c1-3-12-5-7(4-6(12)2)8(9,10)11;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyIICFUAQUBCQPSE-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.70
Rot. Bonds1

About 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane

1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane (PubChem CID 144977123) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane
PubChem CID144977123
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane
SMILESCCC.CCN1CC(C(F)(F)F)CC1C
InChIInChI=1S/C8H14F3N.C3H8/c1-3-12-5-7(4-6(12)2)8(9,10)11;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyIICFUAQUBCQPSE-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane?
The IUPAC name of 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane (CID 144977123) is 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane.
What is the SMILES notation for 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane?
The canonical SMILES for 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane is CCC.CCN1CC(C(F)(F)F)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane?
The InChIKey is IICFUAQUBCQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.C3H8/c1-3-12-5-7(4-6(12)2)8(9,10)11;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane?
1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane has a molecular weight of 225.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-(trifluoromethyl)pyrrolidine;propane is sourced from PubChem (CID 144977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).