2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine

C13H17F2NO — CID 117355063

IUPAC2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c1-17-12-5-4-9(8-11(12)13(14)15)7-10-3-2-6-16-10/h4-5,8,10,13,16H,2-3,6-7H2,1H3
InChIKeyHRPXAMYNHGMQMI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.93
Rot. Bonds4

About 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine

2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine (PubChem CID 117355063) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
PubChem CID117355063
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)cc1C(F)F
InChIInChI=1S/C13H17F2NO/c1-17-12-5-4-9(8-11(12)13(14)15)7-10-3-2-6-16-10/h4-5,8,10,13,16H,2-3,6-7H2,1H3
InChIKeyHRPXAMYNHGMQMI-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine 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

3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine (CID 117355063) is 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine is COc1ccc(CC2CCCN2)cc1C(F)F.
What is the InChIKey of 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine?
The InChIKey is HRPXAMYNHGMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-12-5-4-9(8-11(12)13(14)15)7-10-3-2-6-16-10/h4-5,8,10,13,16H,2-3,6-7H2,1H3.
What are the key properties of 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine?
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine is sourced from PubChem (CID 117355063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).