4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H15ClFNO2 — CID 53398207

IUPAC4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(Cc2ccccc2F)CN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H
InChIKeyHKTWPCCWOYHOCB-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.85
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 53398207) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID53398207
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(Cc2ccccc2F)CN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H
InChIKeyHKTWPCCWOYHOCB-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761966
4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398246
(2S,4R)-4-[(2-iodophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762040
(2R,4S)-4-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133109226
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398238
4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398298
4-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398259
(2S)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 77174815
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 118704946
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 53398207) is 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(Cc2ccccc2F)CN1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is HKTWPCCWOYHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H.
What are the key properties of 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).