imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane

C6H12F3NOS — CID 176888021

IUPACimino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane
SMILES[H]N=S(=O)(CCC(F)(F)F)C(C)C
InChIInChI=1S/C6H12F3NOS/c1-5(2)12(10,11)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyHJNGUYBPMFDRAP-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.39
Rot. Bonds3

About imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane

imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane (PubChem CID 176888021) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane
PubChem CID176888021
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Nameimino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane
SMILES[H]N=S(=O)(CCC(F)(F)F)C(C)C
InChIInChI=1S/C6H12F3NOS/c1-5(2)12(10,11)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyHJNGUYBPMFDRAP-UHFFFAOYSA-N
XLogP2.39
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane?
The IUPAC name of imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane (CID 176888021) is imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane.
What is the SMILES notation for imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane?
The canonical SMILES for imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane is [H]N=S(=O)(CCC(F)(F)F)C(C)C.
What is the InChIKey of imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane?
The InChIKey is HJNGUYBPMFDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-5(2)12(10,11)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane?
imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane has a molecular weight of 203.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxo-propan-2-yl-(3,3,3-trifluoropropyl)-λ6-sulfane is sourced from PubChem (CID 176888021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).