2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid

C12H13F2NO2 — CID 106531817

IUPAC2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cc(F)cc(F)c1)N1CCCC1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)11(12(16)17)15-3-1-2-4-15/h5-7,11H,1-4H2,(H,16,17)
InChIKeyFLVJYHVXNRAFJD-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.19
Rot. Bonds3

About 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid

2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 106531817) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
PubChem CID106531817
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cc(F)cc(F)c1)N1CCCC1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)11(12(16)17)15-3-1-2-4-15/h5-7,11H,1-4H2,(H,16,17)
InChIKeyFLVJYHVXNRAFJD-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 106534415
2-(azepan-1-yl)-2-(3-bromo-4-fluorophenyl)acetic acid
CID 54914626
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
2-piperazin-1-yl-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148515
2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 82093557
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46996116
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid (CID 106531817) is 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1cc(F)cc(F)c1)N1CCCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is FLVJYHVXNRAFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)11(12(16)17)15-3-1-2-4-15/h5-7,11H,1-4H2,(H,16,17).
What are the key properties of 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid?
2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 241.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 106531817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).