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

C8H12F4O3S — CID 87155439

IUPAC(3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC1CCCC(F)C1
InChIInChI=1S/C8H12F4O3S/c9-6-2-1-3-7(4-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2
InChIKeyHOWASPMQTCIFAF-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.44
Rot. Bonds4

About (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite

(3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite (PubChem CID 87155439) has the molecular formula C8H12F4O3S and a molecular weight of 264.24 g/mol. Its IUPAC name is (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name(3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
PubChem CID87155439
Molecular FormulaC8H12F4O3S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name(3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC1CCCC(F)C1
InChIInChI=1S/C8H12F4O3S/c9-6-2-1-3-7(4-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2
InChIKeyHOWASPMQTCIFAF-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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Related Compounds

(2-Fluorocyclohexyl) trifluoromethanesulfonate
CID 14568555
Bis(3-fluorocyclohexyl) sulfite
CID 87154384
(3-Fluorocyclohexyl) trifluoromethanesulfonate
CID 87154424
(4-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
CID 87154560
Bis(2-fluorocyclohexyl) sulfite
CID 87154587
(2-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite
CID 87154671
(2-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
CID 87154944
(4-Fluorocyclohexyl) 2,2,2-trifluoroethyl sulfate
CID 87155026
Ethyl (2-fluorocyclohexyl) sulfite
CID 87155107
Ethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155275
Ethyl (4-fluorocyclohexyl) sulfite
CID 87155399
2,2,2-Trifluoroethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155444

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The IUPAC name of (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite (CID 87155439) is (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OC1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
The InChIKey is HOWASPMQTCIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O3S/c9-6-2-1-3-7(4-6)15-16(13)14-5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite?
(3-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 (3-fluorocyclohexyl) 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87155439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).