N-(cyclohexylideneamino)-2,2-difluoroacetamide

C8H12F2N2O — CID 131223977

IUPACN-(cyclohexylideneamino)-2,2-difluoroacetamide
SMILESO=C(NN=C1CCCCC1)C(F)F
InChIInChI=1S/C8H12F2N2O/c9-7(10)8(13)12-11-6-4-2-1-3-5-6/h7H,1-5H2,(H,12,13)
InChIKeyUWWSWWFVFGOBPT-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.69
Rot. Bonds2

About N-(cyclohexylideneamino)-2,2-difluoroacetamide

N-(cyclohexylideneamino)-2,2-difluoroacetamide (PubChem CID 131223977) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2,2-difluoroacetamide
PubChem CID131223977
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-(cyclohexylideneamino)-2,2-difluoroacetamide
SMILESO=C(NN=C1CCCCC1)C(F)F
InChIInChI=1S/C8H12F2N2O/c9-7(10)8(13)12-11-6-4-2-1-3-5-6/h7H,1-5H2,(H,12,13)
InChIKeyUWWSWWFVFGOBPT-UHFFFAOYSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2,2-difluoroacetamide?
The IUPAC name of N-(cyclohexylideneamino)-2,2-difluoroacetamide (CID 131223977) is N-(cyclohexylideneamino)-2,2-difluoroacetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2,2-difluoroacetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2,2-difluoroacetamide is O=C(NN=C1CCCCC1)C(F)F.
What is the InChIKey of N-(cyclohexylideneamino)-2,2-difluoroacetamide?
The InChIKey is UWWSWWFVFGOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-7(10)8(13)12-11-6-4-2-1-3-5-6/h7H,1-5H2,(H,12,13).
What are the key properties of N-(cyclohexylideneamino)-2,2-difluoroacetamide?
N-(cyclohexylideneamino)-2,2-difluoroacetamide has a molecular weight of 190.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2,2-difluoroacetamide is sourced from PubChem (CID 131223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).