4-(2,2-difluoroethoxy)butanimidamide

C6H12F2N2O — CID 82004482

IUPAC4-(2,2-difluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)F
InChIInChI=1S/C6H12F2N2O/c7-5(8)4-11-3-1-2-6(9)10/h5H,1-4H2,(H3,9,10)
InChIKeyQEKFGXJEXADNKU-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.98
Rot. Bonds6

About 4-(2,2-difluoroethoxy)butanimidamide

4-(2,2-difluoroethoxy)butanimidamide (PubChem CID 82004482) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)butanimidamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)butanimidamide
PubChem CID82004482
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name4-(2,2-difluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)F
InChIInChI=1S/C6H12F2N2O/c7-5(8)4-11-3-1-2-6(9)10/h5H,1-4H2,(H3,9,10)
InChIKeyQEKFGXJEXADNKU-UHFFFAOYSA-N
XLogP0.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutoxy)butanimidamide
CID 24706267
4-hexoxybutanimidamide
CID 29003057
(4-amino-4-iminobutyl) acetate
CID 118644708
octadecanediimidamide;dihydrochloride
CID 24741615
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
3-(2,2-difluoroethoxy)-1-pyrrolidin-1-ylpropan-1-imine
CID 103150906
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
5,5-dihydroxypentanimidamide
CID 87612742
5-(2-cyclobutylethoxy)pentanimidamide
CID 106202150
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
5-(2,2-difluoroethoxy)pentanehydrazide
CID 82009779

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)butanimidamide?
The IUPAC name of 4-(2,2-difluoroethoxy)butanimidamide (CID 82004482) is 4-(2,2-difluoroethoxy)butanimidamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)butanimidamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)butanimidamide is [H]/N=C(\N)CCCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)butanimidamide?
The InChIKey is QEKFGXJEXADNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O/c7-5(8)4-11-3-1-2-6(9)10/h5H,1-4H2,(H3,9,10).
What are the key properties of 4-(2,2-difluoroethoxy)butanimidamide?
4-(2,2-difluoroethoxy)butanimidamide has a molecular weight of 166.17 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)butanimidamide is sourced from PubChem (CID 82004482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).