fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate

C9H16FNO3 — CID 153342961

IUPACfluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate
SMILESCOC(C1CCCN1)C(C)C(=O)OF
InChIInChI=1S/C9H16FNO3/c1-6(9(12)14-10)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3
InChIKeyYVDKBZOJQQJHAV-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.82
Rot. Bonds4

About fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate

fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate (PubChem CID 153342961) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate.

Molecular Properties

Compound Namefluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate
PubChem CID153342961
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namefluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate
SMILESCOC(C1CCCN1)C(C)C(=O)OF
InChIInChI=1S/C9H16FNO3/c1-6(9(12)14-10)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3
InChIKeyYVDKBZOJQQJHAV-UHFFFAOYSA-N
XLogP0.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 66837220
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 70981214
(2,2,2-trifluoroacetyl) (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 89428136
(2R,3R)-3-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 132193466
(2,2,2-trifluoroacetyl) (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propaneperoxoate
CID 145837925
Fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
CID 169183615
ethyl (3S)-3-hydroxy-3-pyrrolidin-2-ylbutanoate
CID 357790
Ethyl 3-hydroxy-3-(2-pyrrolidinyl)butanoate
CID 494357
4-Propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one
CID 19780553
Ethyl 2-(1-hydroxy-1-pyrrolidin-2-ylethyl)-3-methylpentanoate
CID 20441867
tert-butyl (3R)-3-methoxy-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 59021640
3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
CID 59974251

Frequently Asked Questions

What is the IUPAC name of fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate?
The IUPAC name of fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate (CID 153342961) is fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate.
What is the SMILES notation for fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate?
The canonical SMILES for fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate is COC(C1CCCN1)C(C)C(=O)OF.
What is the InChIKey of fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate?
The InChIKey is YVDKBZOJQQJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-6(9(12)14-10)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3.
What are the key properties of fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate?
fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate has a molecular weight of 205.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanoate is sourced from PubChem (CID 153342961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).