(Z)-4-(trifluoromethylsulfonyl)pent-2-ene

C6H9F3O2S — CID 121366816

IUPAC(Z)-4-(trifluoromethylsulfonyl)pent-2-ene
SMILESC/C=C\C(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F3O2S/c1-3-4-5(2)12(10,11)6(7,8)9/h3-5H,1-2H3/b4-3-
InChIKeySDBOOGPWEKPCID-ARJAWSKDSA-N
MW202.20 g/mol
LogP1.89
Rot. Bonds2

About (Z)-4-(trifluoromethylsulfonyl)pent-2-ene

(Z)-4-(trifluoromethylsulfonyl)pent-2-ene (PubChem CID 121366816) has the molecular formula C6H9F3O2S and a molecular weight of 202.20 g/mol. Its IUPAC name is (Z)-4-(trifluoromethylsulfonyl)pent-2-ene.

Molecular Properties

Compound Name(Z)-4-(trifluoromethylsulfonyl)pent-2-ene
PubChem CID121366816
Molecular FormulaC6H9F3O2S
Molecular Weight202.20 g/mol
Exact Mass202.03
IUPAC Name(Z)-4-(trifluoromethylsulfonyl)pent-2-ene
SMILESC/C=C\C(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H9F3O2S/c1-3-4-5(2)12(10,11)6(7,8)9/h3-5H,1-2H3/b4-3-
InChIKeySDBOOGPWEKPCID-ARJAWSKDSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-4-(trifluoromethylsulfonyl)pent-2-ene?
The IUPAC name of (Z)-4-(trifluoromethylsulfonyl)pent-2-ene (CID 121366816) is (Z)-4-(trifluoromethylsulfonyl)pent-2-ene.
What is the SMILES notation for (Z)-4-(trifluoromethylsulfonyl)pent-2-ene?
The canonical SMILES for (Z)-4-(trifluoromethylsulfonyl)pent-2-ene is C/C=C\C(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of (Z)-4-(trifluoromethylsulfonyl)pent-2-ene?
The InChIKey is SDBOOGPWEKPCID-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9F3O2S/c1-3-4-5(2)12(10,11)6(7,8)9/h3-5H,1-2H3/b4-3-.
What are the key properties of (Z)-4-(trifluoromethylsulfonyl)pent-2-ene?
(Z)-4-(trifluoromethylsulfonyl)pent-2-ene has a molecular weight of 202.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(trifluoromethylsulfonyl)pent-2-ene is sourced from PubChem (CID 121366816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).