1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine

C15H20F3NO — CID 168513619

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)(C)Oc1cc(N2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)20-13-9-11(15(16,17)18)8-12(10-13)19-6-4-5-7-19/h8-10H,4-7H2,1-3H3
InChIKeyQBUPSAMMJRPDOY-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.48
Rot. Bonds2

About 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine

1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168513619) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168513619
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)(C)Oc1cc(N2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)20-13-9-11(15(16,17)18)8-12(10-13)19-6-4-5-7-19/h8-10H,4-7H2,1-3H3
InChIKeyQBUPSAMMJRPDOY-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
N-methyl-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)aniline
CID 165351005
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
CID 175748238
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
2-methyl-4-piperidin-1-yl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 139835605
N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91329102
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine (CID 168513619) is 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine is CC(C)(C)Oc1cc(N2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is QBUPSAMMJRPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(2,3)20-13-9-11(15(16,17)18)8-12(10-13)19-6-4-5-7-19/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine?
1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 287.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168513619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).