1-(trifluoromethylsulfanyl)ethylcyclopropane

C6H9F3S — CID 67885228

IUPAC1-(trifluoromethylsulfanyl)ethylcyclopropane
SMILESCC(SC(F)(F)F)C1CC1
InChIInChI=1S/C6H9F3S/c1-4(5-2-3-5)10-6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyUZYWHMMUYLEAOI-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.04
Rot. Bonds2

About 1-(trifluoromethylsulfanyl)ethylcyclopropane

1-(trifluoromethylsulfanyl)ethylcyclopropane (PubChem CID 67885228) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)ethylcyclopropane.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)ethylcyclopropane
PubChem CID67885228
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name1-(trifluoromethylsulfanyl)ethylcyclopropane
SMILESCC(SC(F)(F)F)C1CC1
InChIInChI=1S/C6H9F3S/c1-4(5-2-3-5)10-6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyUZYWHMMUYLEAOI-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-2-methyl-3-methylsulfanylpropane
CID 20746378
2-Methyl-1-(trifluoromethylsulfanyl)propane
CID 22015920
1-(Difluoromethylsulfanyl)-2-methylpropane
CID 59617990
2-(2,2-Difluoro-3-methylbutyl)thiirane
CID 89167350
Trifluoromethylsulfanylmethylcyclopropane
CID 89193694
[Fluoro(methylsulfanyl)methyl]cyclopropane
CID 89207477
1,1,1-Trifluoro-3-methyl-4-methylsulfanylbutane
CID 90938756
1,1-Difluoro-2-(2-methylsulfanylpropyl)cyclopropane
CID 91137647
1-Ethylsulfanyl-1-(trifluoromethyl)cyclopropane
CID 123359063
2-Methyl-3-(2,2,2-trifluoroethylsulfanyl)butane
CID 123427704
2,2-Difluoro-3-methyl-1-methylsulfanylbutane
CID 123661526
1,1-Difluoro-3-(methylsulfanylmethyl)cyclobutane
CID 123757298

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)ethylcyclopropane?
The IUPAC name of 1-(trifluoromethylsulfanyl)ethylcyclopropane (CID 67885228) is 1-(trifluoromethylsulfanyl)ethylcyclopropane.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)ethylcyclopropane?
The canonical SMILES for 1-(trifluoromethylsulfanyl)ethylcyclopropane is CC(SC(F)(F)F)C1CC1.
What is the InChIKey of 1-(trifluoromethylsulfanyl)ethylcyclopropane?
The InChIKey is UZYWHMMUYLEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-4(5-2-3-5)10-6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)ethylcyclopropane?
1-(trifluoromethylsulfanyl)ethylcyclopropane has a molecular weight of 170.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)ethylcyclopropane is sourced from PubChem (CID 67885228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).