2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine

C14H16ClF4N — CID 107304083

IUPAC2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1cc(C(F)(F)F)ccc1N1CCCC1CCCCl
InChIInChI=1S/C14H16ClF4N/c15-7-1-3-11-4-2-8-20(11)13-6-5-10(9-12(13)16)14(17,18)19/h5-6,9,11H,1-4,7-8H2
InChIKeyQSLYDUCOYGLIRB-UHFFFAOYSA-N
MW309.73 g/mol
LogP4.83
Rot. Bonds4

About 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine

2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 107304083) has the molecular formula C14H16ClF4N and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID107304083
Molecular FormulaC14H16ClF4N
Molecular Weight309.73 g/mol
Exact Mass309.09
IUPAC Name2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1cc(C(F)(F)F)ccc1N1CCCC1CCCCl
InChIInChI=1S/C14H16ClF4N/c15-7-1-3-11-4-2-8-20(11)13-6-5-10(9-12(13)16)14(17,18)19/h5-6,9,11H,1-4,7-8H2
InChIKeyQSLYDUCOYGLIRB-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304128
2-(3-bromopropyl)-1-[2-bromo-4-(trifluoromethyl)phenyl]pyrrolidine
CID 115512327
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
3-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304073
3-(2-bromoethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304136
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
3-fluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 55076130
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 66329106
4-[2-(chloromethyl)piperidin-1-yl]-3-fluoroaniline
CID 141469083
2-(3-chloropropyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 55182800
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115316994

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine (CID 107304083) is 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine is Fc1cc(C(F)(F)F)ccc1N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is QSLYDUCOYGLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF4N/c15-7-1-3-11-4-2-8-20(11)13-6-5-10(9-12(13)16)14(17,18)19/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine?
2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 309.73 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 107304083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).