4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol

C10H19F3OS — CID 129153585

IUPAC4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol
SMILESCCC(CC(C)(O)C(F)(F)F)C(C)SC
InChIInChI=1S/C10H19F3OS/c1-5-8(7(2)15-4)6-9(3,14)10(11,12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyMLYLHGMZODHZDM-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.47
Rot. Bonds5

About 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol

4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol (PubChem CID 129153585) has the molecular formula C10H19F3OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol
PubChem CID129153585
Molecular FormulaC10H19F3OS
Molecular Weight244.32 g/mol
Exact Mass244.11
IUPAC Name4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol
SMILESCCC(CC(C)(O)C(F)(F)F)C(C)SC
InChIInChI=1S/C10H19F3OS/c1-5-8(7(2)15-4)6-9(3,14)10(11,12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyMLYLHGMZODHZDM-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol?
The IUPAC name of 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol (CID 129153585) is 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol.
What is the SMILES notation for 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol?
The canonical SMILES for 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol is CCC(CC(C)(O)C(F)(F)F)C(C)SC.
What is the InChIKey of 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol?
The InChIKey is MLYLHGMZODHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OS/c1-5-8(7(2)15-4)6-9(3,14)10(11,12)13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol?
4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol has a molecular weight of 244.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol is sourced from PubChem (CID 129153585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).