carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)

C12H28FHfN3O — CID 171766570

IUPACcarbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]COC1CCCC1F.[CH3-].[Hf+4]
InChIInChI=1S/C7H13FNO.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyIUXQVQRKRYDGRZ-UHFFFAOYSA-N
MW427.86 g/mol
LogP3.54
Rot. Bonds3

About carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)

carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+) (PubChem CID 171766570) has the molecular formula C12H28FHfN3O and a molecular weight of 427.86 g/mol. Its IUPAC name is carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+).

Molecular Properties

Compound Namecarbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)
PubChem CID171766570
Molecular FormulaC12H28FHfN3O
Molecular Weight427.86 g/mol
Exact Mass429.17
IUPAC Namecarbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]COC1CCCC1F.[CH3-].[Hf+4]
InChIInChI=1S/C7H13FNO.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyIUXQVQRKRYDGRZ-UHFFFAOYSA-N
XLogP3.54
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
carbanide;bis(dimethylazanide);2-(2-fluorocyclopentyl)ethyl-methylazanide;titanium(4+)
CID 171766659
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
1,2-difluorocyclopentane;propane
CID 171503216
carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)
CID 171766549
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
CID 174098195
(1R)-1,3-difluoro-2-methylcyclohexane
CID 134531645
ethyl (2-fluorocyclohexyl) sulfite
CID 87155107
(2-fluorocyclohexyl) methyl sulfite
CID 87155182
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)?
The IUPAC name of carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+) (CID 171766570) is carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+).
What is the SMILES notation for carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)?
The canonical SMILES for carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+) is C[N-]C.C[N-]C.C[N-]COC1CCCC1F.[CH3-].[Hf+4].
What is the InChIKey of carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)?
The InChIKey is IUXQVQRKRYDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FNO.2C2H6N.CH3.Hf/c1-9-5-10-7-4-2-3-6(7)8;2*1-3-2;;/h6-7H,2-5H2,1H3;2*1-2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)?
carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+) has a molecular weight of 427.86 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+) is sourced from PubChem (CID 171766570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).