4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol

C11H12F3NO2 — CID 13320255

IUPAC4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)7-2-1-3-8(4-7)17-10-6-15-5-9(10)16/h1-4,9-10,15-16H,5-6H2
InChIKeyJEHXRAXCJGVCDE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.42
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol

4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol (PubChem CID 13320255) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
PubChem CID13320255
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)7-2-1-3-8(4-7)17-10-6-15-5-9(10)16/h1-4,9-10,15-16H,5-6H2
InChIKeyJEHXRAXCJGVCDE-UHFFFAOYSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
4-(3-ethoxyphenoxy)pyrrolidin-3-ol
CID 63704227
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
(2R,3S)-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine;oxalic acid
CID 67885896
4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol
CID 102714834
1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320253
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
4-(4-iodophenoxy)pyrrolidin-3-ol
CID 63702649
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol (CID 13320255) is 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol is OC1CNCC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The InChIKey is JEHXRAXCJGVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)7-2-1-3-8(4-7)17-10-6-15-5-9(10)16/h1-4,9-10,15-16H,5-6H2.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol is sourced from PubChem (CID 13320255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).