4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol

C11H11BrF3NO3 — CID 102714834

IUPAC4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H11BrF3NO3/c12-7-3-6(18-10-5-16-4-8(10)17)1-2-9(7)19-11(13,14)15/h1-3,8,10,16-17H,4-5H2
InChIKeyJUQFFUGKVYZYAR-UHFFFAOYSA-N
MW342.11 g/mol
LogP2.06
Rot. Bonds3

About 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol

4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol (PubChem CID 102714834) has the molecular formula C11H11BrF3NO3 and a molecular weight of 342.11 g/mol. Its IUPAC name is 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol
PubChem CID102714834
Molecular FormulaC11H11BrF3NO3
Molecular Weight342.11 g/mol
Exact Mass340.99
IUPAC Name4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H11BrF3NO3/c12-7-3-6(18-10-5-16-4-8(10)17)1-2-9(7)19-11(13,14)15/h1-3,8,10,16-17H,4-5H2
InChIKeyJUQFFUGKVYZYAR-UHFFFAOYSA-N
XLogP2.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
CID 102714916
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
2-bromo-4-(3-chloro-2-ethoxycyclobutyl)oxy-1-(trifluoromethoxy)benzene
CID 102715069
2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
CID 22618198
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
3-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 102714818
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
4-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]oxane
CID 102674570
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 102715077
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 102714629
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol (CID 102714834) is 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol is OC1CNCC1Oc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol?
The InChIKey is JUQFFUGKVYZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3/c12-7-3-6(18-10-5-16-4-8(10)17)1-2-9(7)19-11(13,14)15/h1-3,8,10,16-17H,4-5H2.
What are the key properties of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol?
4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol has a molecular weight of 342.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]pyrrolidin-3-ol is sourced from PubChem (CID 102714834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).