3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine

C14H20FN — CID 84687079

IUPAC3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine
SMILESCC(C)(F)Cc1ccccc1C1CCNC1
InChIInChI=1S/C14H20FN/c1-14(2,15)9-11-5-3-4-6-13(11)12-7-8-16-10-12/h3-6,12,16H,7-10H2,1-2H3
InChIKeyJQEWJIBNOYQPOC-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.05
Rot. Bonds3

About 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine

3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine (PubChem CID 84687079) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine
PubChem CID84687079
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine
SMILESCC(C)(F)Cc1ccccc1C1CCNC1
InChIInChI=1S/C14H20FN/c1-14(2,15)9-11-5-3-4-6-13(11)12-7-8-16-10-12/h3-6,12,16H,7-10H2,1-2H3
InChIKeyJQEWJIBNOYQPOC-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine (CID 84687079) is 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine is CC(C)(F)Cc1ccccc1C1CCNC1.
What is the InChIKey of 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine?
The InChIKey is JQEWJIBNOYQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,15)9-11-5-3-4-6-13(11)12-7-8-16-10-12/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine?
3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 84687079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).