lithium;N-propylpropan-1-amine;trifluoromethanesulfonate

C7H15F3LiNO3S — CID 139039585

IUPAClithium;N-propylpropan-1-amine;trifluoromethanesulfonate
SMILESCCCNCCC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C6H15N.CHF3O3S.Li/c1-3-5-7-6-4-2;2-1(3,4)8(5,6)7;/h7H,3-6H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyPPHHNUNPMCGTLH-UHFFFAOYSA-M
MW257.20 g/mol
LogP-1.55
Rot. Bonds4

About lithium;N-propylpropan-1-amine;trifluoromethanesulfonate

lithium;N-propylpropan-1-amine;trifluoromethanesulfonate (PubChem CID 139039585) has the molecular formula C7H15F3LiNO3S and a molecular weight of 257.20 g/mol. Its IUPAC name is lithium;N-propylpropan-1-amine;trifluoromethanesulfonate.

Molecular Properties

Compound Namelithium;N-propylpropan-1-amine;trifluoromethanesulfonate
PubChem CID139039585
Molecular FormulaC7H15F3LiNO3S
Molecular Weight257.20 g/mol
Exact Mass257.09
IUPAC Namelithium;N-propylpropan-1-amine;trifluoromethanesulfonate
SMILESCCCNCCC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C6H15N.CHF3O3S.Li/c1-3-5-7-6-4-2;2-1(3,4)8(5,6)7;/h7H,3-6H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyPPHHNUNPMCGTLH-UHFFFAOYSA-M
XLogP-1.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 lithium;N-propylpropan-1-amine;trifluoromethanesulfonate?
The IUPAC name of lithium;N-propylpropan-1-amine;trifluoromethanesulfonate (CID 139039585) is lithium;N-propylpropan-1-amine;trifluoromethanesulfonate.
What is the SMILES notation for lithium;N-propylpropan-1-amine;trifluoromethanesulfonate?
The canonical SMILES for lithium;N-propylpropan-1-amine;trifluoromethanesulfonate is CCCNCCC.O=S(=O)([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium;N-propylpropan-1-amine;trifluoromethanesulfonate?
The InChIKey is PPHHNUNPMCGTLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.CHF3O3S.Li/c1-3-5-7-6-4-2;2-1(3,4)8(5,6)7;/h7H,3-6H2,1-2H3;(H,5,6,7);/q;;+1/p-1.
What are the key properties of lithium;N-propylpropan-1-amine;trifluoromethanesulfonate?
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate has a molecular weight of 257.20 g/mol, XLogP of -1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-propylpropan-1-amine;trifluoromethanesulfonate is sourced from PubChem (CID 139039585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).