trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane

C7H13F3S — CID 146646129

IUPACtrifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane
SMILESCC=CC(C)C(C)S(F)(F)F
InChIInChI=1S/C7H13F3S/c1-4-5-6(2)7(3)11(8,9)10/h4-7H,1-3H3
InChIKeyBTVIUIQTHXWASO-UHFFFAOYSA-N
MW186.24 g/mol
LogP4.05
Rot. Bonds3

About trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane

trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane (PubChem CID 146646129) has the molecular formula C7H13F3S and a molecular weight of 186.24 g/mol. Its IUPAC name is trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane
PubChem CID146646129
Molecular FormulaC7H13F3S
Molecular Weight186.24 g/mol
Exact Mass186.07
IUPAC Nametrifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane
SMILESCC=CC(C)C(C)S(F)(F)F
InChIInChI=1S/C7H13F3S/c1-4-5-6(2)7(3)11(8,9)10/h4-7H,1-3H3
InChIKeyBTVIUIQTHXWASO-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane?
The IUPAC name of trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane (CID 146646129) is trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane.
What is the SMILES notation for trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane?
The canonical SMILES for trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane is CC=CC(C)C(C)S(F)(F)F.
What is the InChIKey of trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane?
The InChIKey is BTVIUIQTHXWASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3S/c1-4-5-6(2)7(3)11(8,9)10/h4-7H,1-3H3.
What are the key properties of trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane?
trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane has a molecular weight of 186.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane is sourced from PubChem (CID 146646129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).