difluoro(naphthalen-2-yl)methanesulfonate

C11H7F2O3S- — CID 44560743

IUPACdifluoro(naphthalen-2-yl)methanesulfonate
SMILESO=S(=O)([O-])C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)/p-1
InChIKeyGOESXSQUFQHLQQ-UHFFFAOYSA-M
MW257.24 g/mol
LogP2.43
Rot. Bonds2

About difluoro(naphthalen-2-yl)methanesulfonate

difluoro(naphthalen-2-yl)methanesulfonate (PubChem CID 44560743) has the molecular formula C11H7F2O3S- and a molecular weight of 257.24 g/mol. Its IUPAC name is difluoro(naphthalen-2-yl)methanesulfonate.

Molecular Properties

Compound Namedifluoro(naphthalen-2-yl)methanesulfonate
PubChem CID44560743
Molecular FormulaC11H7F2O3S-
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Namedifluoro(naphthalen-2-yl)methanesulfonate
SMILESO=S(=O)([O-])C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)/p-1
InChIKeyGOESXSQUFQHLQQ-UHFFFAOYSA-M
XLogP2.43
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropane-2-sulfonic acid
CID 89249717
1,1,2,2,3,3-hexafluoro-3-naphthalen-2-yloxypropane-1-sulfonate
CID 59344331
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
trinaphthalen-2-ylmethanol
CID 10573628
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
dipotassium;naphthalene;sulfate
CID 159561982
calcium;naphthalene;sulfate
CID 158920591
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
naphthalene-2-thiol;trifluoromethanesulfonic acid
CID 162622443
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652

Frequently Asked Questions

What is the IUPAC name of difluoro(naphthalen-2-yl)methanesulfonate?
The IUPAC name of difluoro(naphthalen-2-yl)methanesulfonate (CID 44560743) is difluoro(naphthalen-2-yl)methanesulfonate.
What is the SMILES notation for difluoro(naphthalen-2-yl)methanesulfonate?
The canonical SMILES for difluoro(naphthalen-2-yl)methanesulfonate is O=S(=O)([O-])C(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of difluoro(naphthalen-2-yl)methanesulfonate?
The InChIKey is GOESXSQUFQHLQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)/p-1.
What are the key properties of difluoro(naphthalen-2-yl)methanesulfonate?
difluoro(naphthalen-2-yl)methanesulfonate has a molecular weight of 257.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(naphthalen-2-yl)methanesulfonate is sourced from PubChem (CID 44560743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).