(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C12H22F3N — CID 90446398

IUPAC(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCC1C[C@@H](CC)C(CC)N1CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-4-9-7-10(5-2)16(11(9)6-3)8-12(13,14)15/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyLEOMZDROFYZHOO-KPPDAEKUSA-N
MW237.31 g/mol
LogP3.84
Rot. Bonds4

About (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine

(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 90446398) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID90446398
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCC1C[C@@H](CC)C(CC)N1CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-4-9-7-10(5-2)16(11(9)6-3)8-12(13,14)15/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyLEOMZDROFYZHOO-KPPDAEKUSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 90446398) is (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CCC1C[C@@H](CC)C(CC)N1CC(F)(F)F.
What is the InChIKey of (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is LEOMZDROFYZHOO-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H22F3N/c1-4-9-7-10(5-2)16(11(9)6-3)8-12(13,14)15/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m1/s1.
What are the key properties of (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
(3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 237.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,5-triethyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 90446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).