N,N,1,2,3-pentafluoroaziridin-2-amine

C2HF5N2 — CID 101089389

IUPACN,N,1,2,3-pentafluoroaziridin-2-amine
SMILESFC1N(F)C1(F)N(F)F
InChIInChI=1S/C2HF5N2/c3-1-2(4,8(1)5)9(6)7/h1H
InChIKeyIGBZVDBXHQUKDN-UHFFFAOYSA-N
MW148.03 g/mol
LogP1.18
Rot. Bonds1

About N,N,1,2,3-pentafluoroaziridin-2-amine

N,N,1,2,3-pentafluoroaziridin-2-amine (PubChem CID 101089389) has the molecular formula C2HF5N2 and a molecular weight of 148.03 g/mol. Its IUPAC name is N,N,1,2,3-pentafluoroaziridin-2-amine.

Molecular Properties

Compound NameN,N,1,2,3-pentafluoroaziridin-2-amine
PubChem CID101089389
Molecular FormulaC2HF5N2
Molecular Weight148.03 g/mol
Exact Mass148.01
IUPAC NameN,N,1,2,3-pentafluoroaziridin-2-amine
SMILESFC1N(F)C1(F)N(F)F
InChIInChI=1S/C2HF5N2/c3-1-2(4,8(1)5)9(6)7/h1H
InChIKeyIGBZVDBXHQUKDN-UHFFFAOYSA-N
XLogP1.18
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.03
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,N,1,2,3-pentafluoroaziridin-2-amine?
The IUPAC name of N,N,1,2,3-pentafluoroaziridin-2-amine (CID 101089389) is N,N,1,2,3-pentafluoroaziridin-2-amine.
What is the SMILES notation for N,N,1,2,3-pentafluoroaziridin-2-amine?
The canonical SMILES for N,N,1,2,3-pentafluoroaziridin-2-amine is FC1N(F)C1(F)N(F)F.
What is the InChIKey of N,N,1,2,3-pentafluoroaziridin-2-amine?
The InChIKey is IGBZVDBXHQUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5N2/c3-1-2(4,8(1)5)9(6)7/h1H.
What are the key properties of N,N,1,2,3-pentafluoroaziridin-2-amine?
N,N,1,2,3-pentafluoroaziridin-2-amine has a molecular weight of 148.03 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,2,3-pentafluoroaziridin-2-amine is sourced from PubChem (CID 101089389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).