3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine

C12H15F2N — CID 105464966

IUPAC3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
SMILESFc1ccccc1CC(F)C1CCNC1
InChIInChI=1S/C12H15F2N/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10,12,15H,5-8H2
InChIKeyDGVDJUMWNIVRSF-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.32
Rot. Bonds3

About 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine

3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine (PubChem CID 105464966) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
PubChem CID105464966
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
SMILESFc1ccccc1CC(F)C1CCNC1
InChIInChI=1S/C12H15F2N/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10,12,15H,5-8H2
InChIKeyDGVDJUMWNIVRSF-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
3-[1-(2-fluorophenyl)-2-methylpropyl]pyrrolidine
CID 83910621
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662
4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
CID 115032230

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine (CID 105464966) is 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine is Fc1ccccc1CC(F)C1CCNC1.
What is the InChIKey of 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is DGVDJUMWNIVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10,12,15H,5-8H2.
What are the key properties of 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine?
3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 105464966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).