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

C7H11F2NO2 — CID 81166849

IUPAC1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCC(F)F)CCC1
InChIInChI=1S/C7H11F2NO2/c8-5(9)4-10-7(6(11)12)2-1-3-7/h5,10H,1-4H2,(H,11,12)
InChIKeyNDDOQFTXKLPYBG-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.85
Rot. Bonds4

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

1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid (PubChem CID 81166849) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
PubChem CID81166849
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCC(F)F)CCC1
InChIInChI=1S/C7H11F2NO2/c8-5(9)4-10-7(6(11)12)2-1-3-7/h5,10H,1-4H2,(H,11,12)
InChIKeyNDDOQFTXKLPYBG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167795
1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168087
1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167638
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512
1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446992
1-[2-(trifluoromethoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81166915

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid (CID 81166849) is 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NCC(F)F)CCC1.
What is the InChIKey of 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NDDOQFTXKLPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-5(9)4-10-7(6(11)12)2-1-3-7/h5,10H,1-4H2,(H,11,12).
What are the key properties of 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid?
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).