[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate

C8H8F6O4S — CID 140566975

IUPAC[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate
SMILESO=C(OC(CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H8F6O4S/c9-7(10,11)3-5(18-6(15)4-1-2-4)19(16,17)8(12,13)14/h4-5H,1-3H2
InChIKeyNUKPJWVVMDQRSS-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.15
Rot. Bonds4

About [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate

[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate (PubChem CID 140566975) has the molecular formula C8H8F6O4S and a molecular weight of 314.20 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate
PubChem CID140566975
Molecular FormulaC8H8F6O4S
Molecular Weight314.20 g/mol
Exact Mass314.00
IUPAC Name[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate
SMILESO=C(OC(CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H8F6O4S/c9-7(10,11)3-5(18-6(15)4-1-2-4)19(16,17)8(12,13)14/h4-5H,1-3H2
InChIKeyNUKPJWVVMDQRSS-UHFFFAOYSA-N
XLogP2.15
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate?
The IUPAC name of [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate (CID 140566975) is [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate.
What is the SMILES notation for [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate?
The canonical SMILES for [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate is O=C(OC(CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1CC1.
What is the InChIKey of [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate?
The InChIKey is NUKPJWVVMDQRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O4S/c9-7(10,11)3-5(18-6(15)4-1-2-4)19(16,17)8(12,13)14/h4-5H,1-3H2.
What are the key properties of [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate?
[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate has a molecular weight of 314.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate is sourced from PubChem (CID 140566975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).