1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

C14H18F3NO — CID 58563495

IUPAC1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-11-8-12(14(15,16)17)10-13(9-11)19-7-6-18-4-2-3-5-18/h8-10H,2-7H2,1H3
InChIKeyXXGKCBCJQKAVFT-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 58563495) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
PubChem CID58563495
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESCc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-11-8-12(14(15,16)17)10-13(9-11)19-7-6-18-4-2-3-5-18/h8-10H,2-7H2,1H3
InChIKeyXXGKCBCJQKAVFT-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (CID 58563495) is 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is Cc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is XXGKCBCJQKAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-11-8-12(14(15,16)17)10-13(9-11)19-7-6-18-4-2-3-5-18/h8-10H,2-7H2,1H3.
What are the key properties of 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 58563495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).