1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3NO — CID 174233777

IUPAC1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(C)(c2ccccc2C(F)(F)F)N1O
InChIInChI=1S/C14H18F3NO/c1-12(2)8-9-13(3,18(12)19)10-6-4-5-7-11(10)14(15,16)17/h4-7,19H,8-9H2,1-3H3
InChIKeyGUSLMULHEXMZPY-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.18
Rot. Bonds1

About 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine

1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 174233777) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID174233777
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(C)(c2ccccc2C(F)(F)F)N1O
InChIInChI=1S/C14H18F3NO/c1-12(2)8-9-13(3,18(12)19)10-6-4-5-7-11(10)14(15,16)17/h4-7,19H,8-9H2,1-3H3
InChIKeyGUSLMULHEXMZPY-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 174233777) is 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine is CC1(C)CCC(C)(c2ccccc2C(F)(F)F)N1O.
What is the InChIKey of 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is GUSLMULHEXMZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-12(2)8-9-13(3,18(12)19)10-6-4-5-7-11(10)14(15,16)17/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine?
1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 174233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).