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

C14H20FNO — CID 84700259

IUPAC2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(C(C)F)cc1CC1CCCN1
InChIInChI=1S/C14H20FNO/c1-10(15)11-5-6-14(17-2)12(8-11)9-13-4-3-7-16-13/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3
InChIKeyHQPFFGSXRZGLDE-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds4

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

2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine (PubChem CID 84700259) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
PubChem CID84700259
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(C(C)F)cc1CC1CCCN1
InChIInChI=1S/C14H20FNO/c1-10(15)11-5-6-14(17-2)12(8-11)9-13-4-3-7-16-13/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3
InChIKeyHQPFFGSXRZGLDE-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
CID 117464172
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[[2-methoxy-5-methylsulfanyl-4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 178136877
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine (CID 84700259) is 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine is COc1ccc(C(C)F)cc1CC1CCCN1.
What is the InChIKey of 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
The InChIKey is HQPFFGSXRZGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(15)11-5-6-14(17-2)12(8-11)9-13-4-3-7-16-13/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine?
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 3.02, 4 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]methyl]pyrrolidine is sourced from PubChem (CID 84700259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).