2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine

C12H22F3N — CID 175613615

IUPAC2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CC(C(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C12H22F3N/c1-8(2)16-7-9(12(13,14)15)6-10(16)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyKOLDGTDTOLASRQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.69
Rot. Bonds1

About 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine

2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine (PubChem CID 175613615) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
PubChem CID175613615
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CC(C(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C12H22F3N/c1-8(2)16-7-9(12(13,14)15)6-10(16)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyKOLDGTDTOLASRQ-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine (CID 175613615) is 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine is CC(C)N1CC(C(F)(F)F)CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is KOLDGTDTOLASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-8(2)16-7-9(12(13,14)15)6-10(16)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine?
2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 237.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 175613615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).