ethyl (2-fluorocyclohexyl) sulfite

C8H15FO3S — CID 87155107

IUPACethyl (2-fluorocyclohexyl) sulfite
SMILESCCOS(=O)OC1CCCCC1F
InChIInChI=1S/C8H15FO3S/c1-2-11-13(10)12-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyBWCXBHSTVDMZSG-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.90
Rot. Bonds4

About ethyl (2-fluorocyclohexyl) sulfite

ethyl (2-fluorocyclohexyl) sulfite (PubChem CID 87155107) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (2-fluorocyclohexyl) sulfite.

Molecular Properties

Compound Nameethyl (2-fluorocyclohexyl) sulfite
PubChem CID87155107
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Nameethyl (2-fluorocyclohexyl) sulfite
SMILESCCOS(=O)OC1CCCCC1F
InChIInChI=1S/C8H15FO3S/c1-2-11-13(10)12-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyBWCXBHSTVDMZSG-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorocyclohexyl) methyl sulfite
CID 87155182
(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
1-chloropropyl (2-fluorocyclohexyl) carbonate
CID 89413864
1,2-difluorocyclopentane;propane
CID 171503216
cis-(1R,2S)-1-ethenoxy-2-fluorocyclohexane
CID 174098195
[(1S,2S)-2-fluorocycloheptyl] 2-chloroacetate
CID 102243983
ethyl (2E)-4-bromo-2-(2-fluorocyclohexyl)oxyimino-3-oxobutanoate
CID 21249015
1-fluoro-2-(2-fluorocyclohexyl)sulfinylcyclohexane
CID 66796402
carbanide;bis(dimethylazanide);(2-fluorocyclopentyl)oxymethyl-methylazanide;hafnium(4+)
CID 171766570

Frequently Asked Questions

What is the IUPAC name of ethyl (2-fluorocyclohexyl) sulfite?
The IUPAC name of ethyl (2-fluorocyclohexyl) sulfite (CID 87155107) is ethyl (2-fluorocyclohexyl) sulfite.
What is the SMILES notation for ethyl (2-fluorocyclohexyl) sulfite?
The canonical SMILES for ethyl (2-fluorocyclohexyl) sulfite is CCOS(=O)OC1CCCCC1F.
What is the InChIKey of ethyl (2-fluorocyclohexyl) sulfite?
The InChIKey is BWCXBHSTVDMZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-2-11-13(10)12-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl (2-fluorocyclohexyl) sulfite?
ethyl (2-fluorocyclohexyl) sulfite has a molecular weight of 210.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-fluorocyclohexyl) sulfite is sourced from PubChem (CID 87155107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).