1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane

C8H9F7O6S3 — CID 59584389

IUPAC1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
SMILESO=S(=O)(C1CCC(F)C1)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H9F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-6H,1-3H2
InChIKeyAYDCRLOHWJFZSX-UHFFFAOYSA-N
MW430.34 g/mol
LogP1.44
Rot. Bonds4

About 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane

1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane (PubChem CID 59584389) has the molecular formula C8H9F7O6S3 and a molecular weight of 430.34 g/mol. Its IUPAC name is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane.

Molecular Properties

Compound Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
PubChem CID59584389
Molecular FormulaC8H9F7O6S3
Molecular Weight430.34 g/mol
Exact Mass429.94
IUPAC Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
SMILESO=S(=O)(C1CCC(F)C1)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H9F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-6H,1-3H2
InChIKeyAYDCRLOHWJFZSX-UHFFFAOYSA-N
XLogP1.44
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane (CID 59584389) is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane.
What is the SMILES notation for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The canonical SMILES for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane is O=S(=O)(C1CCC(F)C1)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The InChIKey is AYDCRLOHWJFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-6H,1-3H2.
What are the key properties of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane has a molecular weight of 430.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane is sourced from PubChem (CID 59584389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).