1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)

C13H19FU3 — CID 58598683

IUPAC1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)
SMILES[CH2-]Cc1cc(F)ccc1CCCC.[CH3-].[U+2].[U].[U]
InChIInChI=1S/C12H16F.CH3.3U/c1-3-5-6-11-7-8-12(13)9-10(11)4-2;;;;/h7-9H,2-6H2,1H3;1H3;;;/q2*-1;;;+2
InChIKeyZXQCXYFWHHJKQC-UHFFFAOYSA-N
MW908.38 g/mol
LogP4.00
Rot. Bonds4

About 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)

1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) (PubChem CID 58598683) has the molecular formula C13H19FU3 and a molecular weight of 908.38 g/mol. Its IUPAC name is 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+).

Molecular Properties

Compound Name1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)
PubChem CID58598683
Molecular FormulaC13H19FU3
Molecular Weight908.38 g/mol
Exact Mass908.30
IUPAC Name1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)
SMILES[CH2-]Cc1cc(F)ccc1CCCC.[CH3-].[U+2].[U].[U]
InChIInChI=1S/C12H16F.CH3.3U/c1-3-5-6-11-7-8-12(13)9-10(11)4-2;;;;/h7-9H,2-6H2,1H3;1H3;;;/q2*-1;;;+2
InChIKeyZXQCXYFWHHJKQC-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500908.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)
CID 58598694
2,4-difluoro-1-pentylbenzene
CID 20770613
4-fluoro-2-heptylaniline
CID 67191637
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
1-butyl-4-fluoro-2-(trifluoromethylsulfanyl)benzene
CID 123435070
2-[3-(5-fluoro-2-propylphenyl)propyl]oxirane
CID 145256712
3-butyl-6-fluorochromen-2-one
CID 162411608
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
1-butyl-4-[2-[4-[2-(4-butyl-3-fluorophenyl)ethynyl]phenyl]ethynyl]-2-fluorobenzene
CID 22112211
1,2-dibutyl-4-methoxybenzene
CID 153315966
2-[2-(4-butyl-2,3-difluorophenyl)ethynyl]-6-fluoronaphthalene
CID 139854018

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)?
The IUPAC name of 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) (CID 58598683) is 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+).
What is the SMILES notation for 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)?
The canonical SMILES for 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) is [CH2-]Cc1cc(F)ccc1CCCC.[CH3-].[U+2].[U].[U].
What is the InChIKey of 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)?
The InChIKey is ZXQCXYFWHHJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F.CH3.3U/c1-3-5-6-11-7-8-12(13)9-10(11)4-2;;;;/h7-9H,2-6H2,1H3;1H3;;;/q2*-1;;;+2.
What are the key properties of 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)?
1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) has a molecular weight of 908.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+) is sourced from PubChem (CID 58598683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).