carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)

C22H18F4N2Ti — CID 18714423

IUPACcarbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)
SMILESFc1[c-]c(F)c(-n2cccc2)cc1.Fc1[c-]c(F)c(-n2cccc2)cc1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C10H6F2N.2CH3.Ti/c2*11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;;;/h2*1-6H;2*1H3;/q4*-1;+4
InChIKeyPRWONYLQOGOYQM-UHFFFAOYSA-N
MW434.26 g/mol
LogP6.01
Rot. Bonds2

About carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)

carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+) (PubChem CID 18714423) has the molecular formula C22H18F4N2Ti and a molecular weight of 434.26 g/mol. Its IUPAC name is carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)
PubChem CID18714423
Molecular FormulaC22H18F4N2Ti
Molecular Weight434.26 g/mol
Exact Mass434.09
IUPAC Namecarbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)
SMILESFc1[c-]c(F)c(-n2cccc2)cc1.Fc1[c-]c(F)c(-n2cccc2)cc1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C10H6F2N.2CH3.Ti/c2*11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;;;/h2*1-6H;2*1H3;/q4*-1;+4
InChIKeyPRWONYLQOGOYQM-UHFFFAOYSA-N
XLogP6.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.26
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)?
The IUPAC name of carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+) (CID 18714423) is carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+).
What is the SMILES notation for carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)?
The canonical SMILES for carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+) is Fc1[c-]c(F)c(-n2cccc2)cc1.Fc1[c-]c(F)c(-n2cccc2)cc1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)?
The InChIKey is PRWONYLQOGOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6F2N.2CH3.Ti/c2*11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;;;/h2*1-6H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)?
carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+) has a molecular weight of 434.26 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+) is sourced from PubChem (CID 18714423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).