2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3N — CID 66467423

IUPAC2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)C1(c2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3N/c1-10(2)13(8-5-9-18-13)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10,18H,5,8-9H2,1-2H3
InChIKeyZPTSAVKOFSZNOJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.94
Rot. Bonds2

About 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine

2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 66467423) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID66467423
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)C1(c2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3N/c1-10(2)13(8-5-9-18-13)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10,18H,5,8-9H2,1-2H3
InChIKeyZPTSAVKOFSZNOJ-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 66467423) is 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine is CC(C)C1(c2ccccc2C(F)(F)F)CCCN1.
What is the InChIKey of 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is ZPTSAVKOFSZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(2)13(8-5-9-18-13)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10,18H,5,8-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine?
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 66467423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).