[(4,4-difluorocyclohexyl)amino] acetate

C8H13F2NO2 — CID 88912219

IUPAC[(4,4-difluorocyclohexyl)amino] acetate
SMILESCC(=O)ONC1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c1-6(12)13-11-7-2-4-8(9,10)5-3-7/h7,11H,2-5H2,1H3
InChIKeyRUNBBQNYRRGXDH-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.63
Rot. Bonds2

About [(4,4-difluorocyclohexyl)amino] acetate

[(4,4-difluorocyclohexyl)amino] acetate (PubChem CID 88912219) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is [(4,4-difluorocyclohexyl)amino] acetate.

Molecular Properties

Compound Name[(4,4-difluorocyclohexyl)amino] acetate
PubChem CID88912219
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name[(4,4-difluorocyclohexyl)amino] acetate
SMILESCC(=O)ONC1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO2/c1-6(12)13-11-7-2-4-8(9,10)5-3-7/h7,11H,2-5H2,1H3
InChIKeyRUNBBQNYRRGXDH-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4,4-difluorocyclohexyl)amino] acetate?
The IUPAC name of [(4,4-difluorocyclohexyl)amino] acetate (CID 88912219) is [(4,4-difluorocyclohexyl)amino] acetate.
What is the SMILES notation for [(4,4-difluorocyclohexyl)amino] acetate?
The canonical SMILES for [(4,4-difluorocyclohexyl)amino] acetate is CC(=O)ONC1CCC(F)(F)CC1.
What is the InChIKey of [(4,4-difluorocyclohexyl)amino] acetate?
The InChIKey is RUNBBQNYRRGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-6(12)13-11-7-2-4-8(9,10)5-3-7/h7,11H,2-5H2,1H3.
What are the key properties of [(4,4-difluorocyclohexyl)amino] acetate?
[(4,4-difluorocyclohexyl)amino] acetate has a molecular weight of 193.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,4-difluorocyclohexyl)amino] acetate is sourced from PubChem (CID 88912219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).