2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid

C14H18FNO2 — CID 117018480

IUPAC2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
SMILESCC1(C)CC(CC(=O)O)CN1c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2)8-10(7-13(17)18)9-16(14)12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyCEQGMTSACHEKRG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.91
Rot. Bonds3

About 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid

2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid (PubChem CID 117018480) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
PubChem CID117018480
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
SMILESCC1(C)CC(CC(=O)O)CN1c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2)8-10(7-13(17)18)9-16(14)12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyCEQGMTSACHEKRG-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-cyanophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 117018496
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
2-[1-(2-fluoro-3-methoxyphenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 166298318
[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018867
2-[1-(1-benzofuran-3-ylsulfonyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 166298319
2-[1-(4-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604582
N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
CID 126825591
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770
1,3-bis(2-fluorophenyl)-4,4-dimethylimidazolidine
CID 129229077
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid (CID 117018480) is 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid is CC1(C)CC(CC(=O)O)CN1c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid?
The InChIKey is CEQGMTSACHEKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2)8-10(7-13(17)18)9-16(14)12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid?
2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid has a molecular weight of 251.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 117018480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).