(E)-2-(trifluoromethylsulfonyl)hept-2-ene

C8H13F3O2S — CID 88929975

IUPAC(E)-2-(trifluoromethylsulfonyl)hept-2-ene
SMILESCCCC/C=C(\C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-3-4-5-6-7(2)14(12,13)8(9,10)11/h6H,3-5H2,1-2H3/b7-6+
InChIKeyIZJAVHBYWXPIKY-VOTSOKGWSA-N
MW230.25 g/mol
LogP3.02
Rot. Bonds4

About (E)-2-(trifluoromethylsulfonyl)hept-2-ene

(E)-2-(trifluoromethylsulfonyl)hept-2-ene (PubChem CID 88929975) has the molecular formula C8H13F3O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is (E)-2-(trifluoromethylsulfonyl)hept-2-ene.

Molecular Properties

Compound Name(E)-2-(trifluoromethylsulfonyl)hept-2-ene
PubChem CID88929975
Molecular FormulaC8H13F3O2S
Molecular Weight230.25 g/mol
Exact Mass230.06
IUPAC Name(E)-2-(trifluoromethylsulfonyl)hept-2-ene
SMILESCCCC/C=C(\C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-3-4-5-6-7(2)14(12,13)8(9,10)11/h6H,3-5H2,1-2H3/b7-6+
InChIKeyIZJAVHBYWXPIKY-VOTSOKGWSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(trifluoromethylsulfonyl)hept-2-ene?
The IUPAC name of (E)-2-(trifluoromethylsulfonyl)hept-2-ene (CID 88929975) is (E)-2-(trifluoromethylsulfonyl)hept-2-ene.
What is the SMILES notation for (E)-2-(trifluoromethylsulfonyl)hept-2-ene?
The canonical SMILES for (E)-2-(trifluoromethylsulfonyl)hept-2-ene is CCCC/C=C(\C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-2-(trifluoromethylsulfonyl)hept-2-ene?
The InChIKey is IZJAVHBYWXPIKY-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13F3O2S/c1-3-4-5-6-7(2)14(12,13)8(9,10)11/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-2-(trifluoromethylsulfonyl)hept-2-ene?
(E)-2-(trifluoromethylsulfonyl)hept-2-ene has a molecular weight of 230.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(trifluoromethylsulfonyl)hept-2-ene is sourced from PubChem (CID 88929975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).