3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine

C13H16F3N — CID 116996854

IUPAC3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESFC(F)(F)c1cccc(CCC2CCNC2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-3-1-2-10(8-12)4-5-11-6-7-17-9-11/h1-3,8,11,17H,4-7,9H2
InChIKeyXSCKHTUHQXQOBB-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine

3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine (PubChem CID 116996854) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
PubChem CID116996854
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESFC(F)(F)c1cccc(CCC2CCNC2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-3-1-2-10(8-12)4-5-11-6-7-17-9-11/h1-3,8,11,17H,4-7,9H2
InChIKeyXSCKHTUHQXQOBB-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
CID 84713269
3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 66289904
5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2-thione
CID 91621051
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The IUPAC name of 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine (CID 116996854) is 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine is FC(F)(F)c1cccc(CCC2CCNC2)c1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The InChIKey is XSCKHTUHQXQOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)12-3-1-2-10(8-12)4-5-11-6-7-17-9-11/h1-3,8,11,17H,4-7,9H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 116996854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).