2-tert-butyl-3-(trifluoromethyl)pyrrolidine

C9H16F3N — CID 176601473

IUPAC2-tert-butyl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1NCCC1C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-8(2,3)7-6(4-5-13-7)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyHOSBKDQLZKSEBO-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds

About 2-tert-butyl-3-(trifluoromethyl)pyrrolidine

2-tert-butyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 176601473) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-tert-butyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-3-(trifluoromethyl)pyrrolidine
PubChem CID176601473
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2-tert-butyl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1NCCC1C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-8(2,3)7-6(4-5-13-7)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyHOSBKDQLZKSEBO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-3-(trifluoromethyl)pyrrolidine (CID 176601473) is 2-tert-butyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-3-(trifluoromethyl)pyrrolidine is CC(C)(C)C1NCCC1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is HOSBKDQLZKSEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-8(2,3)7-6(4-5-13-7)9(10,11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(trifluoromethyl)pyrrolidine?
2-tert-butyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 176601473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).