(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate

C8H12F4O4S — CID 87155026

IUPAC(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC1CCC(F)CC1
InChIInChI=1S/C8H12F4O4S/c9-6-1-3-7(4-2-6)16-17(13,14)15-5-8(10,11)12/h6-7H,1-5H2
InChIKeyIHAXTEZCJWYJIH-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.11
Rot. Bonds4

About (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate

(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate (PubChem CID 87155026) has the molecular formula C8H12F4O4S and a molecular weight of 280.24 g/mol. Its IUPAC name is (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate.

Molecular Properties

Compound Name(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
PubChem CID87155026
Molecular FormulaC8H12F4O4S
Molecular Weight280.24 g/mol
Exact Mass280.04
IUPAC Name(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC1CCC(F)CC1
InChIInChI=1S/C8H12F4O4S/c9-6-1-3-7(4-2-6)16-17(13,14)15-5-8(10,11)12/h6-7H,1-5H2
InChIKeyIHAXTEZCJWYJIH-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate?
The IUPAC name of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate (CID 87155026) is (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate.
What is the SMILES notation for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate?
The canonical SMILES for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate is O=S(=O)(OCC(F)(F)F)OC1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate?
The InChIKey is IHAXTEZCJWYJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O4S/c9-6-1-3-7(4-2-6)16-17(13,14)15-5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate?
(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate has a molecular weight of 280.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate is sourced from PubChem (CID 87155026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).