1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine

C13H13F6N — CID 87929151

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cc(CN2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10-5-9(8-20-3-1-2-4-20)6-11(7-10)13(17,18)19/h5-7H,1-4,8H2
InChIKeyLPWNYGTZQVRGQJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.32
Rot. Bonds2

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 87929151) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID87929151
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cc(CN2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10-5-9(8-20-3-1-2-4-20)6-11(7-10)13(17,18)19/h5-7H,1-4,8H2
InChIKeyLPWNYGTZQVRGQJ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]aniline
CID 142814908
3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 58659410
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
CID 138985674
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-3-fluoroazetidine
CID 164558920
2,2,2-trichloroethyl N-[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 159497359
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 19599716
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 123362955

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 87929151) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine is FC(F)(F)c1cc(CN2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is LPWNYGTZQVRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c14-12(15,16)10-5-9(8-20-3-1-2-4-20)6-11(7-10)13(17,18)19/h5-7H,1-4,8H2.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 297.24 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 87929151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).