methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate

C8H14FNO2 — CID 105436071

IUPACmethyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate
SMILESCOC(=O)C(F)C1CCCN1C
InChIInChI=1S/C8H14FNO2/c1-10-5-3-4-6(10)7(9)8(11)12-2/h6-7H,3-5H2,1-2H3
InChIKeyGDPGBPAHWCRZCX-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.59
Rot. Bonds2

About methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate

methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate (PubChem CID 105436071) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate
PubChem CID105436071
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Namemethyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate
SMILESCOC(=O)C(F)C1CCCN1C
InChIInChI=1S/C8H14FNO2/c1-10-5-3-4-6(10)7(9)8(11)12-2/h6-7H,3-5H2,1-2H3
InChIKeyGDPGBPAHWCRZCX-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-pyrrolidineacetic acid
CID 14021870
Methyl 1-methylpyrrolidine-2-acetate
CID 103551
methyl 2-[(2S)-1-methylpyrrolidin-2-yl]acetate
CID 92286142
methyl 2-((2R,4R)-4-fluoropyrrolidin-2-yl)acetate hydrochloride
CID 137952313
methyl 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate hydrochloride
CID 137964252
methyl 2-[(2S,4S)-4-fluoropyrrolidin-2-yl]acetate hydrochloride
CID 165693669
methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate
CID 10657024
2-(1-Ethylpyrrolidin-2-yl)acetic acid
CID 12778855
Methyl 1-methyl-5-oxopyrrolidine-2-acetate
CID 14587548
tert-butyl (2R,4S)-4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 46840516
tert-butyl (2R,4R)-4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 67567373
methyl 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate
CID 68254443

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate (CID 105436071) is methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate is COC(=O)C(F)C1CCCN1C.
What is the InChIKey of methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate?
The InChIKey is GDPGBPAHWCRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-10-5-3-4-6(10)7(9)8(11)12-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate?
methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate has a molecular weight of 175.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate is sourced from PubChem (CID 105436071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).