2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol

C12H14F3NO2 — CID 84710536

IUPAC2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(C2CCNC2)c1O
InChIInChI=1S/C12H14F3NO2/c1-18-11-9(12(13,14)15)3-2-8(10(11)17)7-4-5-16-6-7/h2-3,7,16-17H,4-6H2,1H3
InChIKeyGSJDLJWYBPLTQL-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.50
Rot. Bonds2

About 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol

2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol (PubChem CID 84710536) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
PubChem CID84710536
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(C2CCNC2)c1O
InChIInChI=1S/C12H14F3NO2/c1-18-11-9(12(13,14)15)3-2-8(10(11)17)7-4-5-16-6-7/h2-3,7,16-17H,4-6H2,1H3
InChIKeyGSJDLJWYBPLTQL-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]pyrrolidine
CID 117463459
3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol?
The IUPAC name of 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol (CID 84710536) is 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol is COc1c(C(F)(F)F)ccc(C2CCNC2)c1O.
What is the InChIKey of 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol?
The InChIKey is GSJDLJWYBPLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-18-11-9(12(13,14)15)3-2-8(10(11)17)7-4-5-16-6-7/h2-3,7,16-17H,4-6H2,1H3.
What are the key properties of 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol?
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol has a molecular weight of 261.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol is sourced from PubChem (CID 84710536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).