(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane

C5H10F2N4 — CID 172955686

IUPAC(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane
SMILESC.C.C#CF.[N-]=[N+]=N/N=C/F
InChIInChI=1S/C2HF.CHFN4.2CH4/c1-2-3;2-1-4-6-5-3;;/h1H;1H;2*1H4/b;4-1+;;
InChIKeyZIAQGXNOUKIODO-RGHKWQSISA-N
MW164.16 g/mol
LogP3.03
Rot. Bonds1

About (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane

(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane (PubChem CID 172955686) has the molecular formula C5H10F2N4 and a molecular weight of 164.16 g/mol. Its IUPAC name is (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane.

Molecular Properties

Compound Name(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane
PubChem CID172955686
Molecular FormulaC5H10F2N4
Molecular Weight164.16 g/mol
Exact Mass164.09
IUPAC Name(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane
SMILESC.C.C#CF.[N-]=[N+]=N/N=C/F
InChIInChI=1S/C2HF.CHFN4.2CH4/c1-2-3;2-1-4-6-5-3;;/h1H;1H;2*1H4/b;4-1+;;
InChIKeyZIAQGXNOUKIODO-RGHKWQSISA-N
XLogP3.03
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-azido-1-oxomethanimine
CID 91545615
azidoethene;prop-1-yne
CID 123505749
4-azidohex-5-en-1-yn-3-amine
CID 175452506
3-azidoprop-1-yne
CID 13328518
3-diazoprop-1-yne
CID 13023724
3-azido-4-prop-2-ynoxybut-1-ene
CID 138982903
CID 23413826
CID 23413826
diazidolead;methane
CID 174527611
3-[(2S)-3-azido-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 140741538
1-azido-4-ethynyl-2-fluorobenzene
CID 151487083
2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
5-azidohex-1-yne
CID 89255941

Frequently Asked Questions

What is the IUPAC name of (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane?
The IUPAC name of (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane (CID 172955686) is (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane.
What is the SMILES notation for (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane?
The canonical SMILES for (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane is C.C.C#CF.[N-]=[N+]=N/N=C/F.
What is the InChIKey of (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane?
The InChIKey is ZIAQGXNOUKIODO-RGHKWQSISA-N. The full InChI is InChI=1S/C2HF.CHFN4.2CH4/c1-2-3;2-1-4-6-5-3;;/h1H;1H;2*1H4/b;4-1+;;.
What are the key properties of (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane?
(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane has a molecular weight of 164.16 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane is sourced from PubChem (CID 172955686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).