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

C12H16FN — CID 117284037

IUPAC2-(3-ethyl-4-fluorophenyl)pyrrolidine
SMILESCCc1cc(C2CCCN2)ccc1F
InChIInChI=1S/C12H16FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyUKUPRNCRYKBVBO-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.81
Rot. Bonds2

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

2-(3-ethyl-4-fluorophenyl)pyrrolidine (PubChem CID 117284037) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-(3-ethyl-4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-ethyl-4-fluorophenyl)pyrrolidine
PubChem CID117284037
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name2-(3-ethyl-4-fluorophenyl)pyrrolidine
SMILESCCc1cc(C2CCCN2)ccc1F
InChIInChI=1S/C12H16FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyUKUPRNCRYKBVBO-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
[5-(azetidin-2-yl)-2-fluorophenyl]methanol
CID 55283312
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-(3-ethenyl-4-fluorophenyl)pyrrolidine
CID 172576187
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-ethyl-4-fluorophenyl)pyrrolidine (CID 117284037) is 2-(3-ethyl-4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-ethyl-4-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-ethyl-4-fluorophenyl)pyrrolidine is CCc1cc(C2CCCN2)ccc1F.
What is the InChIKey of 2-(3-ethyl-4-fluorophenyl)pyrrolidine?
The InChIKey is UKUPRNCRYKBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-9-8-10(5-6-11(9)13)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3.
What are the key properties of 2-(3-ethyl-4-fluorophenyl)pyrrolidine?
2-(3-ethyl-4-fluorophenyl)pyrrolidine has a molecular weight of 193.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 117284037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).