1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane

C7H10BrF3S — CID 116627954

IUPAC1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane
SMILESFC(F)(F)SCCC1(CBr)CC1
InChIInChI=1S/C7H10BrF3S/c8-5-6(1-2-6)3-4-12-7(9,10)11/h1-5H2
InChIKeyLQAHYGVBEFXTGW-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.80
Rot. Bonds4

About 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane

1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane (PubChem CID 116627954) has the molecular formula C7H10BrF3S and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane
PubChem CID116627954
Molecular FormulaC7H10BrF3S
Molecular Weight263.12 g/mol
Exact Mass261.96
IUPAC Name1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane
SMILESFC(F)(F)SCCC1(CBr)CC1
InChIInChI=1S/C7H10BrF3S/c8-5-6(1-2-6)3-4-12-7(9,10)11/h1-5H2
InChIKeyLQAHYGVBEFXTGW-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane (CID 116627954) is 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane is FC(F)(F)SCCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane?
The InChIKey is LQAHYGVBEFXTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF3S/c8-5-6(1-2-6)3-4-12-7(9,10)11/h1-5H2.
What are the key properties of 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane?
1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane has a molecular weight of 263.12 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropane is sourced from PubChem (CID 116627954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).