[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate

C9H16FNO2 — CID 174512176

IUPAC[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC[C@@H](F)C1
InChIInChI=1S/C9H16FNO2/c1-9(2,3)8(12)13-11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyGKFMKWGZYVAFSS-SSDOTTSWSA-N
MW189.23 g/mol
LogP1.53
Rot. Bonds1

About [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate

[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174512176) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174512176
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC[C@@H](F)C1
InChIInChI=1S/C9H16FNO2/c1-9(2,3)8(12)13-11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyGKFMKWGZYVAFSS-SSDOTTSWSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174835809
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
[(3S)-3-sulfanylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 175267538
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
(3-bromoazetidin-1-yl) 2,2-dimethylpropanoate
CID 174717988
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[(3S)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174785836
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174512176) is [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CC[C@@H](F)C1.
What is the InChIKey of [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is GKFMKWGZYVAFSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,3)8(12)13-11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate?
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 189.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174512176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).