2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine

C13H18FN — CID 117296650

IUPAC2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
SMILESFCCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H18FN/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10H2
InChIKeyGVLJCTRBNNPOAW-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.49
Rot. Bonds4

About 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine

2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine (PubChem CID 117296650) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
PubChem CID117296650
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
SMILESFCCc1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H18FN/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10H2
InChIKeyGVLJCTRBNNPOAW-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
CID 117118217
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine (CID 117296650) is 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine is FCCc1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine?
The InChIKey is GVLJCTRBNNPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-8-7-11-3-5-12(6-4-11)10-13-2-1-9-15-13/h3-6,13,15H,1-2,7-10H2.
What are the key properties of 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine?
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117296650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).