3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine

C12H22F3N — CID 126501638

IUPAC3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-10(2,3)11(4)5-7-16(9-11)8-6-12(13,14)15/h5-9H2,1-4H3
InChIKeyDEXCIFGPPRDJMH-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.70
Rot. Bonds2

About 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine

3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 126501638) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID126501638
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-10(2,3)11(4)5-7-16(9-11)8-6-12(13,14)15/h5-9H2,1-4H3
InChIKeyDEXCIFGPPRDJMH-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (CID 126501638) is 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine is CC(C)(C)C1(C)CCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is DEXCIFGPPRDJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-10(2,3)11(4)5-7-16(9-11)8-6-12(13,14)15/h5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 237.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 126501638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).