carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)

C14H28F6O6S2V — CID 162298003

IUPACcarbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)
SMILESC1CCCC1.C1CCCC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-].[V+2]
InChIInChI=1S/2C5H10.2CHF3O3S.2CH3.V/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;/h2*1-5H2;2*(H,5,6,7);2*1H3;/q;;;;2*-1;+2
InChIKeyUMRPFVBBSYQMSV-UHFFFAOYSA-N
MW521.44 g/mol
LogP5.59
Rot. Bonds

About carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)

carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+) (PubChem CID 162298003) has the molecular formula C14H28F6O6S2V and a molecular weight of 521.44 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+).

Molecular Properties

Compound Namecarbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)
PubChem CID162298003
Molecular FormulaC14H28F6O6S2V
Molecular Weight521.44 g/mol
Exact Mass521.07
IUPAC Namecarbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)
SMILESC1CCCC1.C1CCCC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-].[V+2]
InChIInChI=1S/2C5H10.2CHF3O3S.2CH3.V/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;/h2*1-5H2;2*(H,5,6,7);2*1H3;/q;;;;2*-1;+2
InChIKeyUMRPFVBBSYQMSV-UHFFFAOYSA-N
XLogP5.59
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.44
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

CID 176442436
CID 176442436
CID 176445518
CID 176445518
Bis(cyclopentane);titanium(2+);bis(trifluoromethanesulfonate)
CID 117064893
Bis(cyclopentane);bis(trifluoromethanesulfonate);zirconium(2+)
CID 161308514
Carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid
CID 162303878
Carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)
CID 162303884
CID 10919134
CID 10919134
CID 11283778
CID 11283778
CID 11537257
CID 11537257
Bis(cyclopentane);bis(trifluoromethanesulfonic acid);zirconium(2+)
CID 23231597
Carbanide;bis(cyclopentane);titanium(2+);bis(trifluoromethanesulfonic acid)
CID 164887170

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)?
The IUPAC name of carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+) (CID 162298003) is carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+).
What is the SMILES notation for carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)?
The canonical SMILES for carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+) is C1CCCC1.C1CCCC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-].[V+2].
What is the InChIKey of carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)?
The InChIKey is UMRPFVBBSYQMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.2CHF3O3S.2CH3.V/c2*1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;;;/h2*1-5H2;2*(H,5,6,7);2*1H3;/q;;;;2*-1;+2.
What are the key properties of carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)?
carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+) has a molecular weight of 521.44 g/mol, XLogP of 5.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+) is sourced from PubChem (CID 162298003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).