(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine

C13H15BrF3NO — CID 172647841

IUPAC(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15BrF3NO/c1-19-12-2-3-18(8-12)7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyNPHPNOKMEXJHKN-GFCCVEGCSA-N
MW338.17 g/mol
LogP3.69
Rot. Bonds3

About (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine

(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine (PubChem CID 172647841) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
PubChem CID172647841
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15BrF3NO/c1-19-12-2-3-18(8-12)7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyNPHPNOKMEXJHKN-GFCCVEGCSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-5-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647837
(3S)-1-[(3-bromo-5-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647839
(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647846
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidine
CID 172648439
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
CID 138985674
4-[(3-methoxypyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 103542210
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909105
6-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 175947754
tert-butyl N-[1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 158272872
(3R)-1-[[4-bromo-2-(trifluoromethoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 172647888

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine (CID 172647841) is (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine is CO[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine?
The InChIKey is NPHPNOKMEXJHKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-19-12-2-3-18(8-12)7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine?
(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine has a molecular weight of 338.17 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine is sourced from PubChem (CID 172647841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).