3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol

C5H9F3OS — CID 63899818

IUPAC3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol
SMILESCCSCC(O)C(F)(F)F
InChIInChI=1S/C5H9F3OS/c1-2-10-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyVYWIQAGJOZURNC-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.66
Rot. Bonds3

About 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol

3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol (PubChem CID 63899818) has the molecular formula C5H9F3OS and a molecular weight of 174.19 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol
PubChem CID63899818
Molecular FormulaC5H9F3OS
Molecular Weight174.19 g/mol
Exact Mass174.03
IUPAC Name3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol
SMILESCCSCC(O)C(F)(F)F
InChIInChI=1S/C5H9F3OS/c1-2-10-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyVYWIQAGJOZURNC-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol (CID 63899818) is 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol is CCSCC(O)C(F)(F)F.
What is the InChIKey of 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is VYWIQAGJOZURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3OS/c1-2-10-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3.
What are the key properties of 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol?
3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 174.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).