1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid

C6H9F2NO2 — CID 175481331

IUPAC1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
SMILESCC1C(F)(F)CC1(N)C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyDGFLTNVZTCXIPW-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.44
Rot. Bonds1

About 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid

1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid (PubChem CID 175481331) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
PubChem CID175481331
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
SMILESCC1C(F)(F)CC1(N)C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyDGFLTNVZTCXIPW-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid (CID 175481331) is 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid is CC1C(F)(F)CC1(N)C(=O)O.
What is the InChIKey of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The InChIKey is DGFLTNVZTCXIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 175481331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).