1,1,2-trifluoro-2-nitroethene

C2F3NO2 — CID 86016230

IUPAC1,1,2-trifluoro-2-nitroethene
SMILESO=[N+]([O-])C(F)=C(F)F
InChIInChI=1S/C2F3NO2/c3-1(4)2(5)6(7)8
InChIKeyRPVIXCHFPOWUPV-UHFFFAOYSA-N
MW127.02 g/mol
LogP1.30
Rot. Bonds1

About 1,1,2-trifluoro-2-nitroethene

1,1,2-trifluoro-2-nitroethene (PubChem CID 86016230) has the molecular formula C2F3NO2 and a molecular weight of 127.02 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-nitroethene.

Molecular Properties

Compound Name1,1,2-trifluoro-2-nitroethene
PubChem CID86016230
Molecular FormulaC2F3NO2
Molecular Weight127.02 g/mol
Exact Mass126.99
IUPAC Name1,1,2-trifluoro-2-nitroethene
SMILESO=[N+]([O-])C(F)=C(F)F
InChIInChI=1S/C2F3NO2/c3-1(4)2(5)6(7)8
InChIKeyRPVIXCHFPOWUPV-UHFFFAOYSA-N
XLogP1.30
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.02
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 161044850
CID 161044850
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CID 173119623

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-nitroethene?
The IUPAC name of 1,1,2-trifluoro-2-nitroethene (CID 86016230) is 1,1,2-trifluoro-2-nitroethene.
What is the SMILES notation for 1,1,2-trifluoro-2-nitroethene?
The canonical SMILES for 1,1,2-trifluoro-2-nitroethene is O=[N+]([O-])C(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-nitroethene?
The InChIKey is RPVIXCHFPOWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F3NO2/c3-1(4)2(5)6(7)8.
What are the key properties of 1,1,2-trifluoro-2-nitroethene?
1,1,2-trifluoro-2-nitroethene has a molecular weight of 127.02 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-nitroethene is sourced from PubChem (CID 86016230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).