(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate

C11H15F3O4S — CID 147226644

IUPAC(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate
SMILESC=C(C)C1CCCCC1OC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C11H15F3O4S/c1-7(2)8-5-3-4-6-9(8)18-10(15)11(12,13)19(14,16)17/h8-9H,1,3-6H2,2H3
InChIKeyCICKPPLDPYQFDE-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.56
Rot. Bonds4

About (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate

(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate (PubChem CID 147226644) has the molecular formula C11H15F3O4S and a molecular weight of 300.30 g/mol. Its IUPAC name is (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate.

Molecular Properties

Compound Name(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate
PubChem CID147226644
Molecular FormulaC11H15F3O4S
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Name(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate
SMILESC=C(C)C1CCCCC1OC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C11H15F3O4S/c1-7(2)8-5-3-4-6-9(8)18-10(15)11(12,13)19(14,16)17/h8-9H,1,3-6H2,2H3
InChIKeyCICKPPLDPYQFDE-UHFFFAOYSA-N
XLogP2.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate?
The IUPAC name of (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate (CID 147226644) is (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate.
What is the SMILES notation for (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate?
The canonical SMILES for (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate is C=C(C)C1CCCCC1OC(=O)C(F)(F)S(=O)(=O)F.
What is the InChIKey of (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate?
The InChIKey is CICKPPLDPYQFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O4S/c1-7(2)8-5-3-4-6-9(8)18-10(15)11(12,13)19(14,16)17/h8-9H,1,3-6H2,2H3.
What are the key properties of (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate?
(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate has a molecular weight of 300.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 147226644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).