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

C13H16F3NO2 — CID 117439926

IUPAC2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(CC2CCCN2)c1O
InChIInChI=1S/C13H16F3NO2/c1-19-12-10(13(14,15)16)5-4-8(11(12)18)7-9-3-2-6-17-9/h4-5,9,17-18H,2-3,6-7H2,1H3
InChIKeySFPODKWGBLKHMR-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.71
Rot. Bonds3

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

2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol (PubChem CID 117439926) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
PubChem CID117439926
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(CC2CCCN2)c1O
InChIInChI=1S/C13H16F3NO2/c1-19-12-10(13(14,15)16)5-4-8(11(12)18)7-9-3-2-6-17-9/h4-5,9,17-18H,2-3,6-7H2,1H3
InChIKeySFPODKWGBLKHMR-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.71
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
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol (CID 117439926) is 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol is COc1c(C(F)(F)F)ccc(CC2CCCN2)c1O.
What is the InChIKey of 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol?
The InChIKey is SFPODKWGBLKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-12-10(13(14,15)16)5-4-8(11(12)18)7-9-3-2-6-17-9/h4-5,9,17-18H,2-3,6-7H2,1H3.
What are the key properties of 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol?
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol has a molecular weight of 275.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117439926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).