2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid

C7H11F2NO2 — CID 103260441

IUPAC2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)3-10-5-2-1-4(5)7(11)12/h4-6,10H,1-3H2,(H,11,12)
InChIKeyWYGRNLMMSXWNPL-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.70
Rot. Bonds4

About 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid

2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid (PubChem CID 103260441) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
PubChem CID103260441
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)3-10-5-2-1-4(5)7(11)12/h4-6,10H,1-3H2,(H,11,12)
InChIKeyWYGRNLMMSXWNPL-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid (CID 103260441) is 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is WYGRNLMMSXWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)3-10-5-2-1-4(5)7(11)12/h4-6,10H,1-3H2,(H,11,12).
What are the key properties of 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103260441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).