fluoromethanesulfonic acid;isoquinoline

C10H10FNO3S — CID 161311899

IUPACfluoromethanesulfonic acid;isoquinoline
SMILESO=S(=O)(O)CF.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.CH3FO3S/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-6(3,4)5/h1-7H;1H2,(H,3,4,5)
InChIKeyVIZQEAJCXLSCQE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.04
Rot. Bonds1

About fluoromethanesulfonic acid;isoquinoline

fluoromethanesulfonic acid;isoquinoline (PubChem CID 161311899) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is fluoromethanesulfonic acid;isoquinoline.

Molecular Properties

Compound Namefluoromethanesulfonic acid;isoquinoline
PubChem CID161311899
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Namefluoromethanesulfonic acid;isoquinoline
SMILESO=S(=O)(O)CF.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.CH3FO3S/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-6(3,4)5/h1-7H;1H2,(H,3,4,5)
InChIKeyVIZQEAJCXLSCQE-UHFFFAOYSA-N
XLogP2.04
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

isoquinoline;propane-1-sulfonic acid
CID 23498188
hydroxylamine;isoquinoline
CID 158472415
fluoroboronic acid;isoquinoline
CID 172796468
acetic acid;isoquinoline
CID 66713221
isoquinoline;1,3,5-triazine
CID 175198893
ethane;isoquinoline;hydroiodide
CID 153349858
but-2-enedioic acid;isoquinoline
CID 66628488
dichloroiron;isoquinoline
CID 157065360
isoquinoline;1,2,2-triphenylethenylbenzene
CID 159280629
isoquinoline;prop-1-ene
CID 142462490
ethyl 2-methylpropanoate;isoquinoline
CID 158006464
isoquinoline;quinoxaline-2-carboxylic acid
CID 159466037

Frequently Asked Questions

What is the IUPAC name of fluoromethanesulfonic acid;isoquinoline?
The IUPAC name of fluoromethanesulfonic acid;isoquinoline (CID 161311899) is fluoromethanesulfonic acid;isoquinoline.
What is the SMILES notation for fluoromethanesulfonic acid;isoquinoline?
The canonical SMILES for fluoromethanesulfonic acid;isoquinoline is O=S(=O)(O)CF.c1ccc2cnccc2c1.
What is the InChIKey of fluoromethanesulfonic acid;isoquinoline?
The InChIKey is VIZQEAJCXLSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.CH3FO3S/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-6(3,4)5/h1-7H;1H2,(H,3,4,5).
What are the key properties of fluoromethanesulfonic acid;isoquinoline?
fluoromethanesulfonic acid;isoquinoline has a molecular weight of 243.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethanesulfonic acid;isoquinoline is sourced from PubChem (CID 161311899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).