2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile

C3F7N3 — CID 150973529

IUPAC2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile
SMILESN#CC(F)(N(F)F)C(F)(F)N(F)F
InChIInChI=1S/C3F7N3/c4-2(1-11,12(7)8)3(5,6)13(9)10
InChIKeyLOPXGVUMIXWZKM-UHFFFAOYSA-N
MW211.04 g/mol
LogP1.91
Rot. Bonds3

About 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile

2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile (PubChem CID 150973529) has the molecular formula C3F7N3 and a molecular weight of 211.04 g/mol. Its IUPAC name is 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile
PubChem CID150973529
Molecular FormulaC3F7N3
Molecular Weight211.04 g/mol
Exact Mass211.00
IUPAC Name2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile
SMILESN#CC(F)(N(F)F)C(F)(F)N(F)F
InChIInChI=1S/C3F7N3/c4-2(1-11,12(7)8)3(5,6)13(9)10
InChIKeyLOPXGVUMIXWZKM-UHFFFAOYSA-N
XLogP1.91
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.04
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile?
The IUPAC name of 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile (CID 150973529) is 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile?
The canonical SMILES for 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile is N#CC(F)(N(F)F)C(F)(F)N(F)F.
What is the InChIKey of 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile?
The InChIKey is LOPXGVUMIXWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F7N3/c4-2(1-11,12(7)8)3(5,6)13(9)10.
What are the key properties of 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile?
2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile has a molecular weight of 211.04 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoroamino)-2,3,3-trifluoropropanenitrile is sourced from PubChem (CID 150973529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).