tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane

C6H12F3NOS — CID 170029885

IUPACtert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane
SMILESCC(C)(C)N=S(C)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2,3)10-12(4,11)6(7,8)9/h1-4H3
InChIKeyRCVBNESJOYRAAZ-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.40
Rot. Bonds

About tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane

tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane (PubChem CID 170029885) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Nametert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane
PubChem CID170029885
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Nametert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane
SMILESCC(C)(C)N=S(C)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2,3)10-12(4,11)6(7,8)9/h1-4H3
InChIKeyRCVBNESJOYRAAZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane (CID 170029885) is tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane is CC(C)(C)N=S(C)(=O)C(F)(F)F.
What is the InChIKey of tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane?
The InChIKey is RCVBNESJOYRAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-5(2,3)10-12(4,11)6(7,8)9/h1-4H3.
What are the key properties of tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane?
tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane has a molecular weight of 203.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino-methyl-oxo-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 170029885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).