2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine

C13H18FNO — CID 84688515

IUPAC2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(C(C)F)cc1C1CCCN1
InChIInChI=1S/C13H18FNO/c1-9(14)10-5-6-13(16-2)11(8-10)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyRGRUTNRRTFIOCR-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.15
Rot. Bonds3

About 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine

2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine (PubChem CID 84688515) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
PubChem CID84688515
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(C(C)F)cc1C1CCCN1
InChIInChI=1S/C13H18FNO/c1-9(14)10-5-6-13(16-2)11(8-10)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyRGRUTNRRTFIOCR-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
CID 66519478
2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421939
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine?
The IUPAC name of 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine (CID 84688515) is 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine?
The canonical SMILES for 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine is COc1ccc(C(C)F)cc1C1CCCN1.
What is the InChIKey of 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine?
The InChIKey is RGRUTNRRTFIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(14)10-5-6-13(16-2)11(8-10)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine?
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 84688515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).