2-(cyclohexylamino)-2,2-difluoroacetic acid

C8H13F2NO2 — CID 166958661

IUPAC2-(cyclohexylamino)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)NC1CCCCC1
InChIInChI=1S/C8H13F2NO2/c9-8(10,7(12)13)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H,12,13)
InChIKeyGAPWGYWKNXVSIC-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.59
Rot. Bonds3

About 2-(cyclohexylamino)-2,2-difluoroacetic acid

2-(cyclohexylamino)-2,2-difluoroacetic acid (PubChem CID 166958661) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2,2-difluoroacetic acid
PubChem CID166958661
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-(cyclohexylamino)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)NC1CCCCC1
InChIInChI=1S/C8H13F2NO2/c9-8(10,7(12)13)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H,12,13)
InChIKeyGAPWGYWKNXVSIC-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2,2-difluoroacetic acid?
The IUPAC name of 2-(cyclohexylamino)-2,2-difluoroacetic acid (CID 166958661) is 2-(cyclohexylamino)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2,2-difluoroacetic acid is O=C(O)C(F)(F)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2,2-difluoroacetic acid?
The InChIKey is GAPWGYWKNXVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10,7(12)13)11-6-4-2-1-3-5-6/h6,11H,1-5H2,(H,12,13).
What are the key properties of 2-(cyclohexylamino)-2,2-difluoroacetic acid?
2-(cyclohexylamino)-2,2-difluoroacetic acid has a molecular weight of 193.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2,2-difluoroacetic acid is sourced from PubChem (CID 166958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).