carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene

C13H11CrFO3 — CID 11087375

IUPACcarbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene
SMILESC[C@@H]1Cc2ccccc2[C@@H]1F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H11F.3CO.Cr/c1-7-6-8-4-2-3-5-9(8)10(7)11;3*1-2;/h2-5,7,10H,6H2,1H3;;;;/t7-,10-;;;;/m1..../s1
InChIKeyMAHLMDUSAZOOES-BVIKZGIMSA-N
MW286.22 g/mol
LogP2.77
Rot. Bonds

About carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene

carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene (PubChem CID 11087375) has the molecular formula C13H11CrFO3 and a molecular weight of 286.22 g/mol. Its IUPAC name is carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Namecarbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene
PubChem CID11087375
Molecular FormulaC13H11CrFO3
Molecular Weight286.22 g/mol
Exact Mass286.01
IUPAC Namecarbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene
SMILESC[C@@H]1Cc2ccccc2[C@@H]1F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H11F.3CO.Cr/c1-7-6-8-4-2-3-5-9(8)10(7)11;3*1-2;/h2-5,7,10H,6H2,1H3;;;;/t7-,10-;;;;/m1..../s1
InChIKeyMAHLMDUSAZOOES-BVIKZGIMSA-N
XLogP2.77
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene
CID 14113346
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
1-isothiocyanato-2-methyl-2,3-dihydro-1H-indene
CID 87711525
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
CID 11986180
3-fluoro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 91043961

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene (CID 11087375) is carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene is C[C@@H]1Cc2ccccc2[C@@H]1F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is MAHLMDUSAZOOES-BVIKZGIMSA-N. The full InChI is InChI=1S/C10H11F.3CO.Cr/c1-7-6-8-4-2-3-5-9(8)10(7)11;3*1-2;/h2-5,7,10H,6H2,1H3;;;;/t7-,10-;;;;/m1..../s1.
What are the key properties of carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene?
carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 286.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 11087375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).