1-[3-(3-fluorophenyl)propyl]pyrrolidine

C13H18FN — CID 70681573

IUPAC1-[3-(3-fluorophenyl)propyl]pyrrolidine
SMILESFc1cccc(CCCN2CCCC2)c1
InChIInChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2
InChIKeyVBKWQJLSFFFYLC-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-(3-fluorophenyl)propyl]pyrrolidine

1-[3-(3-fluorophenyl)propyl]pyrrolidine (PubChem CID 70681573) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)propyl]pyrrolidine
PubChem CID70681573
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[3-(3-fluorophenyl)propyl]pyrrolidine
SMILESFc1cccc(CCCN2CCCC2)c1
InChIInChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2
InChIKeyVBKWQJLSFFFYLC-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
N,N-Dimethylphenylethylamine
CID 25125
Alverine
CID 3678
Piperidine, 1-(2-phenylethyl)-
CID 9513
Dimethylamphetamine
CID 20006
Prolintane
CID 14592
Dimethamphetamine
CID 65682
4-Fluoroselegiline
CID 9794264
1-(Phenylmethyl)pyrrolidine
CID 122501
3-(Diphenylmethylene)-1,1-Diethyl-2-Methylpyrrolidinium
CID 4905
Prolintane Hydrochloride
CID 14591
MPTP hydrochloride
CID 161406

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3-fluorophenyl)propyl]pyrrolidine (CID 70681573) is 1-[3-(3-fluorophenyl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3-fluorophenyl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3-fluorophenyl)propyl]pyrrolidine is Fc1cccc(CCCN2CCCC2)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)propyl]pyrrolidine?
The InChIKey is VBKWQJLSFFFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2.
What are the key properties of 1-[3-(3-fluorophenyl)propyl]pyrrolidine?
1-[3-(3-fluorophenyl)propyl]pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)propyl]pyrrolidine is sourced from PubChem (CID 70681573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).