2,3-dimethylbutane tetrafluoroborate

C6H14BF4- — CID 174871894

IUPAC2,3-dimethylbutane tetrafluoroborate
SMILESCC(C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C6H14.BF4/c1-5(2)6(3)4;2-1(3,4)5/h5-6H,1-4H3;/q;-1
InChIKeyZWCMPPGHQVCIRH-UHFFFAOYSA-N
MW172.98 g/mol
LogP3.60
Rot. Bonds1

About 2,3-dimethylbutane tetrafluoroborate

2,3-dimethylbutane tetrafluoroborate (PubChem CID 174871894) has the molecular formula C6H14BF4- and a molecular weight of 172.98 g/mol. Its IUPAC name is 2,3-dimethylbutane tetrafluoroborate.

Molecular Properties

Compound Name2,3-dimethylbutane tetrafluoroborate
PubChem CID174871894
Molecular FormulaC6H14BF4-
Molecular Weight172.98 g/mol
Exact Mass173.11
IUPAC Name2,3-dimethylbutane tetrafluoroborate
SMILESCC(C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C6H14.BF4/c1-5(2)6(3)4;2-1(3,4)5/h5-6H,1-4H3;/q;-1
InChIKeyZWCMPPGHQVCIRH-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.98
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane tetrafluoroborate?
The IUPAC name of 2,3-dimethylbutane tetrafluoroborate (CID 174871894) is 2,3-dimethylbutane tetrafluoroborate.
What is the SMILES notation for 2,3-dimethylbutane tetrafluoroborate?
The canonical SMILES for 2,3-dimethylbutane tetrafluoroborate is CC(C)C(C)C.F[B-](F)(F)F.
What is the InChIKey of 2,3-dimethylbutane tetrafluoroborate?
The InChIKey is ZWCMPPGHQVCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.BF4/c1-5(2)6(3)4;2-1(3,4)5/h5-6H,1-4H3;/q;-1.
What are the key properties of 2,3-dimethylbutane tetrafluoroborate?
2,3-dimethylbutane tetrafluoroborate has a molecular weight of 172.98 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane tetrafluoroborate is sourced from PubChem (CID 174871894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).