1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane

C6H9F3S — CID 123359063

IUPAC1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane
SMILESCCSC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3S/c1-2-10-5(3-4-5)6(7,8)9/h2-4H2,1H3
InChIKeyIZVGUDTUKLRTQG-UHFFFAOYSA-N
MW170.20 g/mol
LogP2.83
Rot. Bonds2

About 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane

1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane (PubChem CID 123359063) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane
PubChem CID123359063
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane
SMILESCCSC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3S/c1-2-10-5(3-4-5)6(7,8)9/h2-4H2,1H3
InChIKeyIZVGUDTUKLRTQG-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane (CID 123359063) is 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane is CCSC1(C(F)(F)F)CC1.
What is the InChIKey of 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane?
The InChIKey is IZVGUDTUKLRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-2-10-5(3-4-5)6(7,8)9/h2-4H2,1H3.
What are the key properties of 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane?
1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 170.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 123359063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).