methoxy-dimethyl-propan-2-ylazanium fluoride

C6H16FNO — CID 175254438

IUPACmethoxy-dimethyl-propan-2-ylazanium fluoride
SMILESCO[N+](C)(C)C(C)C.[F-]
InChIInChI=1S/C6H16NO.FH/c1-6(2)7(3,4)8-5;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyVPWNPPIBIZCKLS-UHFFFAOYSA-M
MW137.20 g/mol
LogP-1.96
Rot. Bonds2

About methoxy-dimethyl-propan-2-ylazanium fluoride

methoxy-dimethyl-propan-2-ylazanium fluoride (PubChem CID 175254438) has the molecular formula C6H16FNO and a molecular weight of 137.20 g/mol. Its IUPAC name is methoxy-dimethyl-propan-2-ylazanium fluoride.

Molecular Properties

Compound Namemethoxy-dimethyl-propan-2-ylazanium fluoride
PubChem CID175254438
Molecular FormulaC6H16FNO
Molecular Weight137.20 g/mol
Exact Mass137.12
IUPAC Namemethoxy-dimethyl-propan-2-ylazanium fluoride
SMILESCO[N+](C)(C)C(C)C.[F-]
InChIInChI=1S/C6H16NO.FH/c1-6(2)7(3,4)8-5;/h6H,1-5H3;1H/q+1;/p-1
InChIKeyVPWNPPIBIZCKLS-UHFFFAOYSA-M
XLogP-1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-propan-2-ylazanium fluoride?
The IUPAC name of methoxy-dimethyl-propan-2-ylazanium fluoride (CID 175254438) is methoxy-dimethyl-propan-2-ylazanium fluoride.
What is the SMILES notation for methoxy-dimethyl-propan-2-ylazanium fluoride?
The canonical SMILES for methoxy-dimethyl-propan-2-ylazanium fluoride is CO[N+](C)(C)C(C)C.[F-].
What is the InChIKey of methoxy-dimethyl-propan-2-ylazanium fluoride?
The InChIKey is VPWNPPIBIZCKLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.FH/c1-6(2)7(3,4)8-5;/h6H,1-5H3;1H/q+1;/p-1.
What are the key properties of methoxy-dimethyl-propan-2-ylazanium fluoride?
methoxy-dimethyl-propan-2-ylazanium fluoride has a molecular weight of 137.20 g/mol, XLogP of -1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-propan-2-ylazanium fluoride is sourced from PubChem (CID 175254438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).