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

C12H14FN — CID 172576187

IUPAC2-(3-ethenyl-4-fluorophenyl)pyrrolidine
SMILESC=Cc1cc(C2CCCN2)ccc1F
InChIInChI=1S/C12H14FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h2,5-6,8,12,14H,1,3-4,7H2
InChIKeySZCKUKVCPPYXLO-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.89
Rot. Bonds2

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

2-(3-ethenyl-4-fluorophenyl)pyrrolidine (PubChem CID 172576187) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(3-ethenyl-4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-ethenyl-4-fluorophenyl)pyrrolidine
PubChem CID172576187
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-(3-ethenyl-4-fluorophenyl)pyrrolidine
SMILESC=Cc1cc(C2CCCN2)ccc1F
InChIInChI=1S/C12H14FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h2,5-6,8,12,14H,1,3-4,7H2
InChIKeySZCKUKVCPPYXLO-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[2-fluoro-5-[(2R)-pyrrolidin-2-yl]phenyl]prop-2-enoic acid
CID 66519332
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-4-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-ethenyl-4-fluorophenyl)pyrrolidine (CID 172576187) is 2-(3-ethenyl-4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-ethenyl-4-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-ethenyl-4-fluorophenyl)pyrrolidine is C=Cc1cc(C2CCCN2)ccc1F.
What is the InChIKey of 2-(3-ethenyl-4-fluorophenyl)pyrrolidine?
The InChIKey is SZCKUKVCPPYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h2,5-6,8,12,14H,1,3-4,7H2.
What are the key properties of 2-(3-ethenyl-4-fluorophenyl)pyrrolidine?
2-(3-ethenyl-4-fluorophenyl)pyrrolidine has a molecular weight of 191.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 172576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).