2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine

C14H18F3NO — CID 154695458

IUPAC2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCC(C)C1CCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)11-7-5-9-18(11)12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyXAYCTVZREMIGFJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.21
Rot. Bonds3

About 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine

2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 154695458) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID154695458
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCC(C)C1CCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)11-7-5-9-18(11)12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyXAYCTVZREMIGFJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine (CID 154695458) is 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine is CC(C)C1CCCN1c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is XAYCTVZREMIGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(2)11-7-5-9-18(11)12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 154695458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).