2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid

C7H11F2NO2 — CID 84656756

IUPAC2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(F)(F)CN1CCCC1
InChIInChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-10-3-1-2-4-10/h1-5H2,(H,11,12)
InChIKeyRWHMKRUDZVVMOF-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.80
Rot. Bonds3

About 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid

2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 84656756) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid
PubChem CID84656756
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(F)(F)CN1CCCC1
InChIInChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-10-3-1-2-4-10/h1-5H2,(H,11,12)
InChIKeyRWHMKRUDZVVMOF-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-pyrrolidin-1-ylbutanoic acid
CID 105446744
2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 62270634
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
CID 165467220
N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171927990
1,1,1-trifluoro-4-pyrrolidin-1-ylbutan-2-one
CID 82534998
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
1-ethylpiperidine;2,2,2-trichloroacetic acid
CID 22623631

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid (CID 84656756) is 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid is O=C(O)C(F)(F)CN1CCCC1.
What is the InChIKey of 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is RWHMKRUDZVVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-10-3-1-2-4-10/h1-5H2,(H,11,12).
What are the key properties of 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid?
2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 179.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 84656756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).