(2R)-1,1,1-trifluoro-2-sulfanyloxypropane

C3H5F3OS — CID 134470620

IUPAC(2R)-1,1,1-trifluoro-2-sulfanyloxypropane
SMILESC[C@@H](OS)C(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-2(7-8)3(4,5)6/h2,8H,1H3/t2-/m1/s1
InChIKeyLSVKEDJFEXLZEM-UWTATZPHSA-N
MW146.13 g/mol
LogP1.80
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-sulfanyloxypropane

(2R)-1,1,1-trifluoro-2-sulfanyloxypropane (PubChem CID 134470620) has the molecular formula C3H5F3OS and a molecular weight of 146.13 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-sulfanyloxypropane.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-sulfanyloxypropane
PubChem CID134470620
Molecular FormulaC3H5F3OS
Molecular Weight146.13 g/mol
Exact Mass146.00
IUPAC Name(2R)-1,1,1-trifluoro-2-sulfanyloxypropane
SMILESC[C@@H](OS)C(F)(F)F
InChIInChI=1S/C3H5F3OS/c1-2(7-8)3(4,5)6/h2,8H,1H3/t2-/m1/s1
InChIKeyLSVKEDJFEXLZEM-UWTATZPHSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethoxy)propane
CID 21068678
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
1,1,1-Trifluoropropan-2-yl hypofluorite
CID 18924249
Trifluoro(1,1,1-trifluoropropan-2-yloxy)-lambda4-sulfane
CID 20502403
Sodium;1,1,1-trifluoropropan-2-olate
CID 23687169
Lithium 1,1,1-trifluoropropan-2-olate
CID 23722777
1,1,3-Trifluoro-2-methoxypropane
CID 56980815
1-Fluoropropan-2-yl hypofluorite
CID 59977687
1,1,1,3,3,3-Hexafluoro-2-sulfanyloxypropane
CID 88740671
(2S)-1,1,1-trifluoro-2-methoxypropane
CID 89465865
(2R)-1,1,1-trifluoro-2-methoxypropane
CID 89465920
1,1,1-Trifluorobutan-2-yl hypofluorite
CID 150438318

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-sulfanyloxypropane?
The IUPAC name of (2R)-1,1,1-trifluoro-2-sulfanyloxypropane (CID 134470620) is (2R)-1,1,1-trifluoro-2-sulfanyloxypropane.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-sulfanyloxypropane?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-sulfanyloxypropane is C[C@@H](OS)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-sulfanyloxypropane?
The InChIKey is LSVKEDJFEXLZEM-UWTATZPHSA-N. The full InChI is InChI=1S/C3H5F3OS/c1-2(7-8)3(4,5)6/h2,8H,1H3/t2-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-sulfanyloxypropane?
(2R)-1,1,1-trifluoro-2-sulfanyloxypropane has a molecular weight of 146.13 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-sulfanyloxypropane is sourced from PubChem (CID 134470620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).