1-methylsulfanyl-3-(trifluoromethyl)cyclobutane

C6H9F3S — CID 166834636

IUPAC1-methylsulfanyl-3-(trifluoromethyl)cyclobutane
SMILESCSC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3S/c1-10-5-2-4(3-5)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyMWYIMZLLSKPFPN-UHFFFAOYSA-N
MW170.20 g/mol
LogP2.69
Rot. Bonds1

About 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane

1-methylsulfanyl-3-(trifluoromethyl)cyclobutane (PubChem CID 166834636) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-methylsulfanyl-3-(trifluoromethyl)cyclobutane
PubChem CID166834636
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name1-methylsulfanyl-3-(trifluoromethyl)cyclobutane
SMILESCSC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3S/c1-10-5-2-4(3-5)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyMWYIMZLLSKPFPN-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane (CID 166834636) is 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane is CSC1CC(C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane?
The InChIKey is MWYIMZLLSKPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-10-5-2-4(3-5)6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane?
1-methylsulfanyl-3-(trifluoromethyl)cyclobutane has a molecular weight of 170.20 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 166834636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).