[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

C13H15BrF3NO2 — CID 69175460

IUPAC[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C13H15BrF3NO2/c14-12-4-3-11(20-13(15,16)17)6-9(12)7-18-5-1-2-10(18)8-19/h3-4,6,10,19H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyCDUXKSOWXHKPAP-SNVBAGLBSA-N
MW354.17 g/mol
LogP3.30
Rot. Bonds4

About [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 69175460) has the molecular formula C13H15BrF3NO2 and a molecular weight of 354.17 g/mol. Its IUPAC name is [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID69175460
Molecular FormulaC13H15BrF3NO2
Molecular Weight354.17 g/mol
Exact Mass353.02
IUPAC Name[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C13H15BrF3NO2/c14-12-4-3-11(20-13(15,16)17)6-9(12)7-18-5-1-2-10(18)8-19/h3-4,6,10,19H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyCDUXKSOWXHKPAP-SNVBAGLBSA-N
XLogP3.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
[(2S)-1-[3-[2-methyl-5-(trifluoromethoxy)phenyl]but-3-enyl]pyrrolidin-2-yl]methanol
CID 171079939
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
3-bromo-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767097
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372500
[1-[(3-bromo-2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 106269231

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 69175460) is [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1cc(OC(F)(F)F)ccc1Br.
What is the InChIKey of [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is CDUXKSOWXHKPAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrF3NO2/c14-12-4-3-11(20-13(15,16)17)6-9(12)7-18-5-1-2-10(18)8-19/h3-4,6,10,19H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 354.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 69175460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).