N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride

C3F9N5 — CID 6420222

IUPACN'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride
SMILESF/C(=N/N1C(F)(N(F)F)C1(F)N(F)F)N(F)F
InChIInChI=1S/C3F9N5/c4-1(14(7)8)13-15-2(5,16(9)10)3(15,6)17(11)12/b13-1-
InChIKeyWKCYZSJHVGYLIC-ATVWYZQASA-N
MW277.05 g/mol
LogP2.00
Rot. Bonds3

About N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride

N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride (PubChem CID 6420222) has the molecular formula C3F9N5 and a molecular weight of 277.05 g/mol. Its IUPAC name is N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride.

Molecular Properties

Compound NameN'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride
PubChem CID6420222
Molecular FormulaC3F9N5
Molecular Weight277.05 g/mol
Exact Mass277.00
IUPAC NameN'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride
SMILESF/C(=N/N1C(F)(N(F)F)C1(F)N(F)F)N(F)F
InChIInChI=1S/C3F9N5/c4-1(14(7)8)13-15-2(5,16(9)10)3(15,6)17(11)12/b13-1-
InChIKeyWKCYZSJHVGYLIC-ATVWYZQASA-N
XLogP2.00
TPSA25.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.05
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride?
The IUPAC name of N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride (CID 6420222) is N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride.
What is the SMILES notation for N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride?
The canonical SMILES for N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride is F/C(=N/N1C(F)(N(F)F)C1(F)N(F)F)N(F)F.
What is the InChIKey of N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride?
The InChIKey is WKCYZSJHVGYLIC-ATVWYZQASA-N. The full InChI is InChI=1S/C3F9N5/c4-1(14(7)8)13-15-2(5,16(9)10)3(15,6)17(11)12/b13-1-.
What are the key properties of N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride?
N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride has a molecular weight of 277.05 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,3-bis(difluoroamino)-2,3-difluoroaziridin-1-yl]-N,N-difluorocarbamimidoyl fluoride is sourced from PubChem (CID 6420222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).