3-(3-fluorophenyl)pyrrolidine;oxalic acid

C12H14FNO4 — CID 91623790

IUPAC3-(3-fluorophenyl)pyrrolidine;oxalic acid
SMILESFc1cccc(C2CCNC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C10H12FN.C2H2O4/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;3-1(4)2(5)6/h1-3,6,9,12H,4-5,7H2;(H,3,4)(H,5,6)
InChIKeyBASYITBKUYBBIP-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.06
Rot. Bonds1

About 3-(3-fluorophenyl)pyrrolidine;oxalic acid

3-(3-fluorophenyl)pyrrolidine;oxalic acid (PubChem CID 91623790) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(3-fluorophenyl)pyrrolidine;oxalic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)pyrrolidine;oxalic acid
PubChem CID91623790
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-(3-fluorophenyl)pyrrolidine;oxalic acid
SMILESFc1cccc(C2CCNC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C10H12FN.C2H2O4/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;3-1(4)2(5)6/h1-3,6,9,12H,4-5,7H2;(H,3,4)(H,5,6)
InChIKeyBASYITBKUYBBIP-UHFFFAOYSA-N
XLogP1.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
3-pyrrolidin-3-ylphenol
CID 12937992
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
2-(3-pyrrolidin-3-ylphenyl)propan-2-ylcarbamic acid
CID 54256545
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)pyrrolidine;oxalic acid?
The IUPAC name of 3-(3-fluorophenyl)pyrrolidine;oxalic acid (CID 91623790) is 3-(3-fluorophenyl)pyrrolidine;oxalic acid.
What is the SMILES notation for 3-(3-fluorophenyl)pyrrolidine;oxalic acid?
The canonical SMILES for 3-(3-fluorophenyl)pyrrolidine;oxalic acid is Fc1cccc(C2CCNC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)pyrrolidine;oxalic acid?
The InChIKey is BASYITBKUYBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.C2H2O4/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;3-1(4)2(5)6/h1-3,6,9,12H,4-5,7H2;(H,3,4)(H,5,6).
What are the key properties of 3-(3-fluorophenyl)pyrrolidine;oxalic acid?
3-(3-fluorophenyl)pyrrolidine;oxalic acid has a molecular weight of 255.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)pyrrolidine;oxalic acid is sourced from PubChem (CID 91623790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).