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

C14H29F3O3SV — CID 162303878

IUPACcarbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid
SMILESC1CCCC1.C1CCCC1.C=[V+2].O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-]
InChIInChI=1S/2C5H10.CHF3O3S.2CH3.CH2.V/c2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;;;;/h2*1-5H2;(H,5,6,7);2*1H3;1H2;/q;;;2*-1;;+2
InChIKeyCMDGHARNXHOJBH-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.16
Rot. Bonds

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

carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid (PubChem CID 162303878) has the molecular formula C14H29F3O3SV and a molecular weight of 385.39 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid.

Molecular Properties

Compound Namecarbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid
PubChem CID162303878
Molecular FormulaC14H29F3O3SV
Molecular Weight385.39 g/mol
Exact Mass385.12
IUPAC Namecarbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid
SMILESC1CCCC1.C1CCCC1.C=[V+2].O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-]
InChIInChI=1S/2C5H10.CHF3O3S.2CH3.CH2.V/c2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;;;;/h2*1-5H2;(H,5,6,7);2*1H3;1H2;/q;;;2*-1;;+2
InChIKeyCMDGHARNXHOJBH-UHFFFAOYSA-N
XLogP5.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(2+);trifluoromethanesulfonic acid?
The IUPAC name of carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid (CID 162303878) is carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid.
What is the SMILES notation for carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid?
The canonical SMILES for carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid is C1CCCC1.C1CCCC1.C=[V+2].O=S(=O)(O)C(F)(F)F.[CH3-].[CH3-].
What is the InChIKey of carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid?
The InChIKey is CMDGHARNXHOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.CHF3O3S.2CH3.CH2.V/c2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;;;;/h2*1-5H2;(H,5,6,7);2*1H3;1H2;/q;;;2*-1;;+2.
What are the key properties of carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid?
carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid has a molecular weight of 385.39 g/mol, XLogP of 5.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentane);methylidenevanadium(2+);trifluoromethanesulfonic acid is sourced from PubChem (CID 162303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).