2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium

C9H9F2Rh- — CID 59407927

IUPAC2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium
SMILES[CH2-]c1ccc(C)cc1C(F)F.[Rh]
InChIInChI=1S/C9H9F2.Rh/c1-6-3-4-7(2)8(5-6)9(10)11;/h3-5,9H,2H2,1H3;/q-1;
InChIKeyQNEKCBWBZVRHGJ-UHFFFAOYSA-N
MW258.07 g/mol
LogP3.11
Rot. Bonds1

About 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium

2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium (PubChem CID 59407927) has the molecular formula C9H9F2Rh- and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium
PubChem CID59407927
Molecular FormulaC9H9F2Rh-
Molecular Weight258.07 g/mol
Exact Mass257.97
IUPAC Name2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium
SMILES[CH2-]c1ccc(C)cc1C(F)F.[Rh]
InChIInChI=1S/C9H9F2.Rh/c1-6-3-4-7(2)8(5-6)9(10)11;/h3-5,9H,2H2,1H3;/q-1;
InChIKeyQNEKCBWBZVRHGJ-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-1-fluoro-4-methylbenzene;propane-1-thiol
CID 159426539
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117280695
1-(difluoromethyl)-2-ethynyl-4-methylbenzene
CID 161472614
1-(difluoromethyl)-2-ethynyl-4-methylbenzene
CID 135289795
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369
2-chloro-1-[2-(difluoromethyl)-4-methylphenyl]propan-1-one
CID 131415282
1-bromo-3-[2-(difluoromethyl)-4-methylphenyl]propan-2-one
CID 134616126
1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
CID 117289314
2-[2-(difluoromethyl)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155943487
1,1-difluoroethane;1,4-xylene
CID 169209229
zinc;2-methanidyl-1,4-dimethylbenzene;chloride
CID 53471419
magnesium;2-methanidyl-1,4-dimethylbenzene;chloride
CID 12860825

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium?
The IUPAC name of 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium (CID 59407927) is 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium.
What is the SMILES notation for 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium?
The canonical SMILES for 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium is [CH2-]c1ccc(C)cc1C(F)F.[Rh].
What is the InChIKey of 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium?
The InChIKey is QNEKCBWBZVRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2.Rh/c1-6-3-4-7(2)8(5-6)9(10)11;/h3-5,9H,2H2,1H3;/q-1;.
What are the key properties of 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium?
2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium has a molecular weight of 258.07 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium is sourced from PubChem (CID 59407927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).