(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate

C10H7F2O6S- — CID 140648641

IUPAC(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
SMILESC=Cc1ccc(OC(=O)OC(F)(F)S(=O)(=O)[O-])cc1
InChIInChI=1S/C10H8F2O6S/c1-2-7-3-5-8(6-4-7)17-9(13)18-10(11,12)19(14,15)16/h2-6H,1H2,(H,14,15,16)/p-1
InChIKeyNOUQTTWSXHPIGX-UHFFFAOYSA-M
MW293.22 g/mol
LogP1.94
Rot. Bonds4

About (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate

(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate (PubChem CID 140648641) has the molecular formula C10H7F2O6S- and a molecular weight of 293.22 g/mol. Its IUPAC name is (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate.

Molecular Properties

Compound Name(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
PubChem CID140648641
Molecular FormulaC10H7F2O6S-
Molecular Weight293.22 g/mol
Exact Mass292.99
IUPAC Name(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
SMILESC=Cc1ccc(OC(=O)OC(F)(F)S(=O)(=O)[O-])cc1
InChIInChI=1S/C10H8F2O6S/c1-2-7-3-5-8(6-4-7)17-9(13)18-10(11,12)19(14,15)16/h2-6H,1H2,(H,14,15,16)/p-1
InChIKeyNOUQTTWSXHPIGX-UHFFFAOYSA-M
XLogP1.94
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
2-[2-(4-ethenylphenoxy)ethylamino]-1,1-difluoro-2-oxoethanesulfonate
CID 154615117
(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
CID 70144486
4-(4-ethenylphenoxy)-2,6-bis(trifluoromethyl)benzenesulfonate
CID 140673049
4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonic acid
CID 89483805
1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid
CID 139967692
2-[2-(6-ethenylnaphthalen-2-yl)oxy-2-oxoethoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate
CID 140648594
(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
CID 67428823
[4-[(4-ethenylphenyl)methoxy]phenyl]-difluoromethanesulfonic acid
CID 89361568

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate?
The IUPAC name of (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate (CID 140648641) is (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate.
What is the SMILES notation for (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate?
The canonical SMILES for (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate is C=Cc1ccc(OC(=O)OC(F)(F)S(=O)(=O)[O-])cc1.
What is the InChIKey of (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate?
The InChIKey is NOUQTTWSXHPIGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8F2O6S/c1-2-7-3-5-8(6-4-7)17-9(13)18-10(11,12)19(14,15)16/h2-6H,1H2,(H,14,15,16)/p-1.
What are the key properties of (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate?
(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate has a molecular weight of 293.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate is sourced from PubChem (CID 140648641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).