methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride

C12H15ClFNO2 — CID 138990951

IUPACmethyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C12H14FNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-2-4-10(13)5-3-9;/h2-5,14H,6-8H2,1H3;1H
InChIKeyWGWARIMHCOZCOB-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.65
Rot. Bonds2

About methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride

methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 138990951) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
PubChem CID138990951
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Namemethyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C12H14FNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-2-4-10(13)5-3-9;/h2-5,14H,6-8H2,1H3;1H
InChIKeyWGWARIMHCOZCOB-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 169447954
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 3-phenylazetidine-3-carboxylate;tungsten
CID 58914510
methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
CID 156502964
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574581
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
3-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 70821859
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
4-(4-fluorophenyl)-4-methoxypiperidine
CID 68567119
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride (CID 138990951) is methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1(c2ccc(F)cc2)CCNC1.Cl.
What is the InChIKey of methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is WGWARIMHCOZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c1-16-11(15)12(6-7-14-8-12)9-2-4-10(13)5-3-9;/h2-5,14H,6-8H2,1H3;1H.
What are the key properties of methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 138990951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).