(2-amino-1,1-difluoroethyl) hypofluorite

C2H4F3NO — CID 87454491

IUPAC(2-amino-1,1-difluoroethyl) hypofluorite
SMILESNCC(F)(F)OF
InChIInChI=1S/C2H4F3NO/c3-2(4,1-6)7-5/h1,6H2
InChIKeyMODPAKZFVLHCSO-UHFFFAOYSA-N
MW115.05 g/mol
LogP0.44
Rot. Bonds2

About (2-amino-1,1-difluoroethyl) hypofluorite

(2-amino-1,1-difluoroethyl) hypofluorite (PubChem CID 87454491) has the molecular formula C2H4F3NO and a molecular weight of 115.05 g/mol. Its IUPAC name is (2-amino-1,1-difluoroethyl) hypofluorite.

Molecular Properties

Compound Name(2-amino-1,1-difluoroethyl) hypofluorite
PubChem CID87454491
Molecular FormulaC2H4F3NO
Molecular Weight115.05 g/mol
Exact Mass115.02
IUPAC Name(2-amino-1,1-difluoroethyl) hypofluorite
SMILESNCC(F)(F)OF
InChIInChI=1S/C2H4F3NO/c3-2(4,1-6)7-5/h1,6H2
InChIKeyMODPAKZFVLHCSO-UHFFFAOYSA-N
XLogP0.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.05
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,1-difluoroethyl) hypofluorite?
The IUPAC name of (2-amino-1,1-difluoroethyl) hypofluorite (CID 87454491) is (2-amino-1,1-difluoroethyl) hypofluorite.
What is the SMILES notation for (2-amino-1,1-difluoroethyl) hypofluorite?
The canonical SMILES for (2-amino-1,1-difluoroethyl) hypofluorite is NCC(F)(F)OF.
What is the InChIKey of (2-amino-1,1-difluoroethyl) hypofluorite?
The InChIKey is MODPAKZFVLHCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO/c3-2(4,1-6)7-5/h1,6H2.
What are the key properties of (2-amino-1,1-difluoroethyl) hypofluorite?
(2-amino-1,1-difluoroethyl) hypofluorite has a molecular weight of 115.05 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,1-difluoroethyl) hypofluorite is sourced from PubChem (CID 87454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).