1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H14ClF2NO2 — CID 119908716

IUPAC1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO2.ClH/c13-9-4-3-8(10(14)6-9)7-15-5-1-2-11(15)12(16)17;/h3-4,6,11H,1-2,5,7H2,(H,16,17);1H
InChIKeyCHWPHRGJKFHUSP-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119908716) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119908716
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO2.ClH/c13-9-4-3-8(10(14)6-9)7-15-5-1-2-11(15)12(16)17;/h3-4,6,11H,1-2,5,7H2,(H,16,17);1H
InChIKeyCHWPHRGJKFHUSP-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 64770279
1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-2-carboxylic acid
CID 43443753

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119908716) is 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is CHWPHRGJKFHUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2.ClH/c13-9-4-3-8(10(14)6-9)7-15-5-1-2-11(15)12(16)17;/h3-4,6,11H,1-2,5,7H2,(H,16,17);1H.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 277.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).