1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate

C16H15F4O4S- — CID 59427024

IUPAC1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate
SMILESCc1c(C(C)(C)OC(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2ccccc12
InChIInChI=1S/C16H16F4O4S/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2,3)24-15(17,18)16(19,20)25(21,22)23/h4-9H,1-3H3,(H,21,22,23)/p-1
InChIKeyUYEVDFZIHVIPAN-UHFFFAOYSA-M
MW379.35 g/mol
LogP4.13
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate

1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate (PubChem CID 59427024) has the molecular formula C16H15F4O4S- and a molecular weight of 379.35 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate
PubChem CID59427024
Molecular FormulaC16H15F4O4S-
Molecular Weight379.35 g/mol
Exact Mass379.06
IUPAC Name1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate
SMILESCc1c(C(C)(C)OC(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2ccccc12
InChIInChI=1S/C16H16F4O4S/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2,3)24-15(17,18)16(19,20)25(21,22)23/h4-9H,1-3H3,(H,21,22,23)/p-1
InChIKeyUYEVDFZIHVIPAN-UHFFFAOYSA-M
XLogP4.13
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonic acid
CID 59427025
potassium 1-methylnaphthalene-2-sulfonate
CID 101317089
1,1,2,2,3,3-hexafluoro-3-naphthalen-1-yloxypropane-1-sulfonate
CID 59344325
1-methylnaphthalene-2-sulfonamide
CID 57353049
1,1,2,2,3,3-hexafluoro-3-naphthalen-2-yloxypropane-1-sulfonate
CID 59344331
1-methylsulfonylnaphthalene
CID 11206535
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
1-methylnaphthalene-2-sulfonic acid;2-methylpropane
CID 143894377
2-tert-butyl-1-chloronaphthalene
CID 134942940
3-methylnaphthalene-1-sulfonate
CID 59366561
tert-butyl naphthalene-1-sulfonate
CID 22062611
N-naphthalen-1-ylsulfonyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67314604

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate (CID 59427024) is 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate is Cc1c(C(C)(C)OC(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2ccccc12.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate?
The InChIKey is UYEVDFZIHVIPAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16F4O4S/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2,3)24-15(17,18)16(19,20)25(21,22)23/h4-9H,1-3H3,(H,21,22,23)/p-1.
What are the key properties of 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate?
1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate has a molecular weight of 379.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[2-(1-methylnaphthalen-2-yl)propan-2-yloxy]ethanesulfonate is sourced from PubChem (CID 59427024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).