3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane

C11H16ClF3OS — CID 116628015

IUPAC3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
SMILESFC(F)(F)SCCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C11H16ClF3OS/c12-7-10(4-6-17-11(13,14)15)3-5-16-9(10)8-1-2-8/h8-9H,1-7H2
InChIKeyVHGUALHQSDTCDE-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.05
Rot. Bonds5

About 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane

3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane (PubChem CID 116628015) has the molecular formula C11H16ClF3OS and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
PubChem CID116628015
Molecular FormulaC11H16ClF3OS
Molecular Weight288.76 g/mol
Exact Mass288.06
IUPAC Name3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
SMILESFC(F)(F)SCCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C11H16ClF3OS/c12-7-10(4-6-17-11(13,14)15)3-5-16-9(10)8-1-2-8/h8-9H,1-7H2
InChIKeyVHGUALHQSDTCDE-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane (CID 116628015) is 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane is FC(F)(F)SCCC1(CCl)CCOC1C1CC1.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane?
The InChIKey is VHGUALHQSDTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3OS/c12-7-10(4-6-17-11(13,14)15)3-5-16-9(10)8-1-2-8/h8-9H,1-7H2.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane?
3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane has a molecular weight of 288.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane is sourced from PubChem (CID 116628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).