carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)

C14H27F6O6S2V- — CID 162303884

IUPACcarbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)
SMILESC1CCCC1.C1CCCC1.C=[V].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-]
InChIInChI=1S/2C5H10.2CHF3O3S.CH3.CH2.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);1H3;1H2;/q;;;;-1;;
InChIKeyBMBPSKKOYNIBJA-UHFFFAOYSA-N
MW520.43 g/mol
LogP5.10
Rot. Bonds

About carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)

carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid) (PubChem CID 162303884) has the molecular formula C14H27F6O6S2V- and a molecular weight of 520.43 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namecarbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)
PubChem CID162303884
Molecular FormulaC14H27F6O6S2V-
Molecular Weight520.43 g/mol
Exact Mass520.06
IUPAC Namecarbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)
SMILESC1CCCC1.C1CCCC1.C=[V].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-]
InChIInChI=1S/2C5H10.2CHF3O3S.CH3.CH2.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);1H3;1H2;/q;;;;-1;;
InChIKeyBMBPSKKOYNIBJA-UHFFFAOYSA-N
XLogP5.10
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)?
The IUPAC name of carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid) (CID 162303884) is carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid) is C1CCCC1.C1CCCC1.C=[V].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH3-].
What is the InChIKey of carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)?
The InChIKey is BMBPSKKOYNIBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.2CHF3O3S.CH3.CH2.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);1H3;1H2;/q;;;;-1;;.
What are the key properties of carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid)?
carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid) has a molecular weight of 520.43 g/mol, XLogP of 5.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentane);methylidenevanadium;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 162303884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).