2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine

C12H16FNO — CID 105463019

IUPAC2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCNC1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-15-8-10-6-7-14-12(10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyFVRNRXLZLWQLOE-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine

2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine (PubChem CID 105463019) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
PubChem CID105463019
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCNC1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-15-8-10-6-7-14-12(10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyFVRNRXLZLWQLOE-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Fluorophenyl)-2,2-dimethylpyrrolidine
CID 117272276
Pyrrolidine, 2-(2-methoxy-3-methyl-2-butenyl)-2-phenyl-
CID 15920820
2-(3-Fluorophenyl)-4-methylpyrrolidine
CID 4362338
N-((4-fluorophenyl)methyl)oxan-4-amine
CID 28958487
1-(Oxolan-3-yl)-1-phenylmethanamine
CID 61272798
[1-(4-Fluorophenyl)-2-methoxyethyl](methyl)amine
CID 61553432
5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
N-[(2-fluorophenyl)methyl]oxan-4-amine
CID 43608432
N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 3145047
(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 46956014
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine
CID 92568682

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine (CID 105463019) is 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine is COCC1CCNC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine?
The InChIKey is FVRNRXLZLWQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-8-10-6-7-14-12(10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine?
2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 105463019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).