carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene

C9H3CrF2NO6 — CID 134986566

IUPACcarbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene
SMILES[C-]#[N+]/C(F)=C(/F)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C4H3F2NO.5CO.Cr/c1-7-3(5)4(6)8-2;5*1-2;/h2H3;;;;;;/b4-3-;;;;;;
InChIKeyQLTRVJCTWHHNIF-UPBSDOOHSA-N
MW311.12 g/mol
LogP1.43
Rot. Bonds1

About carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene

carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene (PubChem CID 134986566) has the molecular formula C9H3CrF2NO6 and a molecular weight of 311.12 g/mol. Its IUPAC name is carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene.

Molecular Properties

Compound Namecarbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene
PubChem CID134986566
Molecular FormulaC9H3CrF2NO6
Molecular Weight311.12 g/mol
Exact Mass310.93
IUPAC Namecarbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene
SMILES[C-]#[N+]/C(F)=C(/F)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C4H3F2NO.5CO.Cr/c1-7-3(5)4(6)8-2;5*1-2;/h2H3;;;;;;/b4-3-;;;;;;
InChIKeyQLTRVJCTWHHNIF-UPBSDOOHSA-N
XLogP1.43
TPSA113.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1-diisocyano-2,2-dimethoxyethene
CID 59633746
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
CID 135047654
CID 135047654
methyl cyanate;1,1,2-trifluoro-2-methoxyethene
CID 158661310
carbon monoxide;1-methoxybut-2-ynylidenechromium
CID 13379856
isocyanoformyl fluoride;dihydrochloride
CID 173432088
methyl 2-isocyano-3-methylbut-2-enoate
CID 20667187
chromium;hypofluorous acid
CID 21327654
N-isocyano-1,1-dimethoxymethanimine
CID 20735859
carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate
CID 164970225
(E)-2-fluoro-3-methoxybut-2-ene
CID 163586290
carbon monoxide;(1-methoxy-2-methylpropylidene)tungsten
CID 135075924

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene?
The IUPAC name of carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene (CID 134986566) is carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene.
What is the SMILES notation for carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene?
The canonical SMILES for carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene is [C-]#[N+]/C(F)=C(/F)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene?
The InChIKey is QLTRVJCTWHHNIF-UPBSDOOHSA-N. The full InChI is InChI=1S/C4H3F2NO.5CO.Cr/c1-7-3(5)4(6)8-2;5*1-2;/h2H3;;;;;;/b4-3-;;;;;;.
What are the key properties of carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene?
carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene has a molecular weight of 311.12 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(Z)-1,2-difluoro-1-isocyano-2-methoxyethene is sourced from PubChem (CID 134986566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).