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

C8H12F4O3S — CID 87154560

IUPAC(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC1CCC(F)CC1
InChIInChI=1S/C8H12F4O3S/c9-6-1-3-7(4-2-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2
InChIKeyJZYZJXWHVANNTC-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.44
Rot. Bonds4

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

(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite (PubChem CID 87154560) has the molecular formula C8H12F4O3S and a molecular weight of 264.24 g/mol. Its IUPAC name is (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
PubChem CID87154560
Molecular FormulaC8H12F4O3S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC1CCC(F)CC1
InChIInChI=1S/C8H12F4O3S/c9-6-1-3-7(4-2-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2
InChIKeyJZYZJXWHVANNTC-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The IUPAC name of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite (CID 87154560) is (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OC1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The InChIKey is JZYZJXWHVANNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O3S/c9-6-1-3-7(4-2-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
(4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite has a molecular weight of 264.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87154560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).