(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine

C13H18FN — CID 125452265

IUPAC(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CNC[C@H]1c1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyICZBQZRODXOUHS-AAEUAGOBSA-N
MW207.29 g/mol
LogP2.93
Rot. Bonds3

About (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine

(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine (PubChem CID 125452265) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
PubChem CID125452265
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CNC[C@H]1c1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13-/m0/s1
InChIKeyICZBQZRODXOUHS-AAEUAGOBSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
CID 125452847
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
CID 124562401
3-(3-fluorophenyl)azetidine;heptane;hydrochloride
CID 175294675
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 66715102
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine?
The IUPAC name of (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine (CID 125452265) is (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine.
What is the SMILES notation for (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine?
The canonical SMILES for (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine is CCC[C@H]1CNC[C@H]1c1cccc(F)c1.
What is the InChIKey of (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine?
The InChIKey is ICZBQZRODXOUHS-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine?
(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine is sourced from PubChem (CID 125452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).