2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H15ClFNO2 — CID 53398103

IUPAC2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Cc2ccccc2F)CCCN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12;/h1-2,4-5,14H,3,6-8H2,(H,15,16);1H
InChIKeyFRZTWNHRSHWUGF-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.00
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 53398103) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID53398103
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Cc2ccccc2F)CCCN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12;/h1-2,4-5,14H,3,6-8H2,(H,15,16);1H
InChIKeyFRZTWNHRSHWUGF-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761825
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043
(2R)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761894
2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 115103755
(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761904
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
2-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 155984850
2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398141
2-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 53398196
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 53398103) is 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1(Cc2ccccc2F)CCCN1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is FRZTWNHRSHWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12;/h1-2,4-5,14H,3,6-8H2,(H,15,16);1H.
What are the key properties of 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).