cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate

C9H11F5O4S — CID 98044014

IUPACcyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
SMILESO=C(OC1CCCCC1)[C@@](F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C9H11F5O4S/c10-8(9(11,12)13,19(14,16)17)7(15)18-6-4-2-1-3-5-6/h6H,1-5H2/t8-/m0/s1
InChIKeyPWCOWZDAZDWYAX-QMMMGPOBSA-N
MW310.24 g/mol
LogP2.39
Rot. Bonds3

About cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate

cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate (PubChem CID 98044014) has the molecular formula C9H11F5O4S and a molecular weight of 310.24 g/mol. Its IUPAC name is cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
PubChem CID98044014
Molecular FormulaC9H11F5O4S
Molecular Weight310.24 g/mol
Exact Mass310.03
IUPAC Namecyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
SMILESO=C(OC1CCCCC1)[C@@](F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C9H11F5O4S/c10-8(9(11,12)13,19(14,16)17)7(15)18-6-4-2-1-3-5-6/h6H,1-5H2/t8-/m0/s1
InChIKeyPWCOWZDAZDWYAX-QMMMGPOBSA-N
XLogP2.39
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyloxy-1,1-difluoro-2-oxoethanesulfonic acid
CID 87141583
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
CID 91692563
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
cyclohexyl carbonochloridate;methane
CID 157322505
cycloheptyl hydrogen carbonate
CID 23179405
1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)oxycarbonylpropane-2-sulfonic acid
CID 89394832
cyclobutyl 2,2,2-triaminoacetate
CID 163606846
lithium;carbanide;cyclohexyl acetate
CID 158677387

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate?
The IUPAC name of cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate (CID 98044014) is cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate.
What is the SMILES notation for cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate?
The canonical SMILES for cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate is O=C(OC1CCCCC1)[C@@](F)(C(F)(F)F)S(=O)(=O)F.
What is the InChIKey of cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate?
The InChIKey is PWCOWZDAZDWYAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11F5O4S/c10-8(9(11,12)13,19(14,16)17)7(15)18-6-4-2-1-3-5-6/h6H,1-5H2/t8-/m0/s1.
What are the key properties of cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate?
cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate has a molecular weight of 310.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate is sourced from PubChem (CID 98044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).