(3R)-3-(trifluoromethyl)thiane 1-oxide

C6H9F3OS — CID 102249885

IUPAC(3R)-3-(trifluoromethyl)thiane 1-oxide
SMILESO=S1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H9F3OS/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4H2/t5-,11?/m0/s1
InChIKeyLPVVZUUNWWXAOI-ITZCMCNPSA-N
MW186.20 g/mol
LogP1.71
Rot. Bonds

About (3R)-3-(trifluoromethyl)thiane 1-oxide

(3R)-3-(trifluoromethyl)thiane 1-oxide (PubChem CID 102249885) has the molecular formula C6H9F3OS and a molecular weight of 186.20 g/mol. Its IUPAC name is (3R)-3-(trifluoromethyl)thiane 1-oxide.

Molecular Properties

Compound Name(3R)-3-(trifluoromethyl)thiane 1-oxide
PubChem CID102249885
Molecular FormulaC6H9F3OS
Molecular Weight186.20 g/mol
Exact Mass186.03
IUPAC Name(3R)-3-(trifluoromethyl)thiane 1-oxide
SMILESO=S1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H9F3OS/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4H2/t5-,11?/m0/s1
InChIKeyLPVVZUUNWWXAOI-ITZCMCNPSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethyl)thiane 1-oxide?
The IUPAC name of (3R)-3-(trifluoromethyl)thiane 1-oxide (CID 102249885) is (3R)-3-(trifluoromethyl)thiane 1-oxide.
What is the SMILES notation for (3R)-3-(trifluoromethyl)thiane 1-oxide?
The canonical SMILES for (3R)-3-(trifluoromethyl)thiane 1-oxide is O=S1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3R)-3-(trifluoromethyl)thiane 1-oxide?
The InChIKey is LPVVZUUNWWXAOI-ITZCMCNPSA-N. The full InChI is InChI=1S/C6H9F3OS/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4H2/t5-,11?/m0/s1.
What are the key properties of (3R)-3-(trifluoromethyl)thiane 1-oxide?
(3R)-3-(trifluoromethyl)thiane 1-oxide has a molecular weight of 186.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethyl)thiane 1-oxide is sourced from PubChem (CID 102249885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).