2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine

C13H15ClF3NO — CID 117473874

IUPAC2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1c(Cl)cc(C(F)(F)F)cc1CC1CCCN1
InChIInChI=1S/C13H15ClF3NO/c1-19-12-8(6-10-3-2-4-18-10)5-9(7-11(12)14)13(15,16)17/h5,7,10,18H,2-4,6H2,1H3
InChIKeyGSTQHUBQTAABRD-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.66
Rot. Bonds3

About 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 117473874) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID117473874
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1c(Cl)cc(C(F)(F)F)cc1CC1CCCN1
InChIInChI=1S/C13H15ClF3NO/c1-19-12-8(6-10-3-2-4-18-10)5-9(7-11(12)14)13(15,16)17/h5,7,10,18H,2-4,6H2,1H3
InChIKeyGSTQHUBQTAABRD-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 117473874) is 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine is COc1c(Cl)cc(C(F)(F)F)cc1CC1CCCN1.
What is the InChIKey of 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is GSTQHUBQTAABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-19-12-8(6-10-3-2-4-18-10)5-9(7-11(12)14)13(15,16)17/h5,7,10,18H,2-4,6H2,1H3.
What are the key properties of 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 293.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117473874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).