methyl cyanate;1,1,2-trifluoro-2-methoxyethene

C5H6F3NO2 — CID 158661310

IUPACmethyl cyanate;1,1,2-trifluoro-2-methoxyethene
SMILESCOC#N.COC(F)=C(F)F
InChIInChI=1S/C3H3F3O.C2H3NO/c1-7-3(6)2(4)5;1-4-2-3/h1H3;1H3
InChIKeyICUHECOVLNJWOY-UHFFFAOYSA-N
MW169.10 g/mol
LogP1.78
Rot. Bonds1

About methyl cyanate;1,1,2-trifluoro-2-methoxyethene

methyl cyanate;1,1,2-trifluoro-2-methoxyethene (PubChem CID 158661310) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is methyl cyanate;1,1,2-trifluoro-2-methoxyethene.

Molecular Properties

Compound Namemethyl cyanate;1,1,2-trifluoro-2-methoxyethene
PubChem CID158661310
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Namemethyl cyanate;1,1,2-trifluoro-2-methoxyethene
SMILESCOC#N.COC(F)=C(F)F
InChIInChI=1S/C3H3F3O.C2H3NO/c1-7-3(6)2(4)5;1-4-2-3/h1H3;1H3
InChIKeyICUHECOVLNJWOY-UHFFFAOYSA-N
XLogP1.78
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride
CID 164988531
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
4-methoxy-3-methylpent-2-enenitrile
CID 104865205
1,1,2-trifluoro-2-(2-methoxyethoxy)ethene
CID 58151494
1,1,2-trifluoro-2-(1,2,2-trifluoroethenoxy)ethene;hydroiodide
CID 87861576
(Z)-5,5-dimethoxy-3-methylpent-2-enenitrile
CID 101226032
acetonitrile;methyl acetate
CID 18363384
methyl 3-cyanoprop-2-ynoate
CID 18936148
acetonitrile;dimethyl carbonate;trifluoroborane
CID 175227127
carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene
CID 134986566
2-[amino(methoxy)methylidene]propanedinitrile
CID 3661155
1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
CID 87818958

Frequently Asked Questions

What is the IUPAC name of methyl cyanate;1,1,2-trifluoro-2-methoxyethene?
The IUPAC name of methyl cyanate;1,1,2-trifluoro-2-methoxyethene (CID 158661310) is methyl cyanate;1,1,2-trifluoro-2-methoxyethene.
What is the SMILES notation for methyl cyanate;1,1,2-trifluoro-2-methoxyethene?
The canonical SMILES for methyl cyanate;1,1,2-trifluoro-2-methoxyethene is COC#N.COC(F)=C(F)F.
What is the InChIKey of methyl cyanate;1,1,2-trifluoro-2-methoxyethene?
The InChIKey is ICUHECOVLNJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O.C2H3NO/c1-7-3(6)2(4)5;1-4-2-3/h1H3;1H3.
What are the key properties of methyl cyanate;1,1,2-trifluoro-2-methoxyethene?
methyl cyanate;1,1,2-trifluoro-2-methoxyethene has a molecular weight of 169.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyanate;1,1,2-trifluoro-2-methoxyethene is sourced from PubChem (CID 158661310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).