carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium

C17H7CrF3O7 — CID 10982903

IUPACcarbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium
SMILESFC(F)(F)c1cccc(OC(=[Cr])c2ccco2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H7F3O2.5CO.Cr/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11;5*1-2;/h1-7H;;;;;;
InChIKeyUWIFTLLFBQXEEO-UHFFFAOYSA-N
MW432.23 g/mol
LogP3.21
Rot. Bonds3

About carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium

carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium (PubChem CID 10982903) has the molecular formula C17H7CrF3O7 and a molecular weight of 432.23 g/mol. Its IUPAC name is carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium
PubChem CID10982903
Molecular FormulaC17H7CrF3O7
Molecular Weight432.23 g/mol
Exact Mass431.95
IUPAC Namecarbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium
SMILESFC(F)(F)c1cccc(OC(=[Cr])c2ccco2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H7F3O2.5CO.Cr/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11;5*1-2;/h1-7H;;;;;;
InChIKeyUWIFTLLFBQXEEO-UHFFFAOYSA-N
XLogP3.21
TPSA121.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 39853954
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
[3-(trifluoromethyl)phenyl] 3,5-diaminobenzoate
CID 178075073
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium?
The IUPAC name of carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium (CID 10982903) is carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium.
What is the SMILES notation for carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium?
The canonical SMILES for carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium is FC(F)(F)c1cccc(OC(=[Cr])c2ccco2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium?
The InChIKey is UWIFTLLFBQXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2.5CO.Cr/c13-12(14,15)9-3-1-4-10(7-9)17-8-11-5-2-6-16-11;5*1-2;/h1-7H;;;;;;.
What are the key properties of carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium?
carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium has a molecular weight of 432.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[furan-2-yl-[3-(trifluoromethyl)phenoxy]methylidene]chromium is sourced from PubChem (CID 10982903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).