2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene

C10H15F3S — CID 137412749

IUPAC2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene
SMILESCCC1=C(CSC(F)(F)F)CCC1C
InChIInChI=1S/C10H15F3S/c1-3-9-7(2)4-5-8(9)6-14-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyVWELSRJRYNDJHJ-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.38
Rot. Bonds3

About 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene

2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene (PubChem CID 137412749) has the molecular formula C10H15F3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene
PubChem CID137412749
Molecular FormulaC10H15F3S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene
SMILESCCC1=C(CSC(F)(F)F)CCC1C
InChIInChI=1S/C10H15F3S/c1-3-9-7(2)4-5-8(9)6-14-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyVWELSRJRYNDJHJ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-[5-methyl-2-(trifluoromethylsulfanylmethyl)cyclopenten-1-yl]ethyl]-lambda4-sulfane
CID 137412709
5-(2,2-Difluoropropyl)-2,3-di(propan-2-yl)-7-thiabicyclo[2.2.1]hept-2-ene
CID 144410819
3-Methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene
CID 166769025

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene?
The IUPAC name of 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene (CID 137412749) is 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene.
What is the SMILES notation for 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene?
The canonical SMILES for 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene is CCC1=C(CSC(F)(F)F)CCC1C.
What is the InChIKey of 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene?
The InChIKey is VWELSRJRYNDJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3S/c1-3-9-7(2)4-5-8(9)6-14-10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene?
2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene has a molecular weight of 224.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-(trifluoromethylsulfanylmethyl)cyclopentene is sourced from PubChem (CID 137412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).