(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene

C10H16F3IO2S — CID 134992823

IUPAC(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene
SMILESCCCCCC/C(I)=C/CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h7H,2-6,8H2,1H3/b9-7-
InChIKeyQKOJDOYTGGGLPK-CLFYSBASSA-N
MW384.20 g/mol
LogP4.21
Rot. Bonds7

About (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene

(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene (PubChem CID 134992823) has the molecular formula C10H16F3IO2S and a molecular weight of 384.20 g/mol. Its IUPAC name is (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene.

Molecular Properties

Compound Name(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene
PubChem CID134992823
Molecular FormulaC10H16F3IO2S
Molecular Weight384.20 g/mol
Exact Mass383.99
IUPAC Name(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene
SMILESCCCCCC/C(I)=C/CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h7H,2-6,8H2,1H3/b9-7-
InChIKeyQKOJDOYTGGGLPK-CLFYSBASSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(trifluoromethylsulfonyl)non-2-ene
CID 11021552

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene?
The IUPAC name of (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene (CID 134992823) is (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene.
What is the SMILES notation for (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene?
The canonical SMILES for (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene is CCCCCC/C(I)=C/CS(=O)(=O)C(F)(F)F.
What is the InChIKey of (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene?
The InChIKey is QKOJDOYTGGGLPK-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h7H,2-6,8H2,1H3/b9-7-.
What are the key properties of (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene?
(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene has a molecular weight of 384.20 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene is sourced from PubChem (CID 134992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).