carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten

C13H20F2NW- — CID 157085685

IUPACcarbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten
SMILESC=C(C)CCC(C)=C(F)F.[CH3-].[W].c1cc[nH]c1
InChIInChI=1S/C8H12F2.C4H5N.CH3.W/c1-6(2)4-5-7(3)8(9)10;1-2-4-5-3-1;;/h1,4-5H2,2-3H3;1-5H;1H3;/q;;-1;
InChIKeyPZCMNIBAZOHMMT-UHFFFAOYSA-N
MW412.15 g/mol
LogP4.98
Rot. Bonds3

About carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten

carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten (PubChem CID 157085685) has the molecular formula C13H20F2NW- and a molecular weight of 412.15 g/mol. Its IUPAC name is carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten.

Molecular Properties

Compound Namecarbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten
PubChem CID157085685
Molecular FormulaC13H20F2NW-
Molecular Weight412.15 g/mol
Exact Mass412.11
IUPAC Namecarbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten
SMILESC=C(C)CCC(C)=C(F)F.[CH3-].[W].c1cc[nH]c1
InChIInChI=1S/C8H12F2.C4H5N.CH3.W/c1-6(2)4-5-7(3)8(9)10;1-2-4-5-3-1;;/h1,4-5H2,2-3H3;1-5H;1H3;/q;;-1;
InChIKeyPZCMNIBAZOHMMT-UHFFFAOYSA-N
XLogP4.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten?
The IUPAC name of carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten (CID 157085685) is carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten.
What is the SMILES notation for carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten?
The canonical SMILES for carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten is C=C(C)CCC(C)=C(F)F.[CH3-].[W].c1cc[nH]c1.
What is the InChIKey of carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten?
The InChIKey is PZCMNIBAZOHMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2.C4H5N.CH3.W/c1-6(2)4-5-7(3)8(9)10;1-2-4-5-3-1;;/h1,4-5H2,2-3H3;1-5H;1H3;/q;;-1;.
What are the key properties of carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten?
carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten has a molecular weight of 412.15 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,1-difluoro-2,5-dimethylhexa-1,5-diene;1H-pyrrole;tungsten is sourced from PubChem (CID 157085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).