1,1,1-trifluoro-3-methylsulfanylpropan-2-ol

C4H7F3OS — CID 63900436

IUPAC1,1,1-trifluoro-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-9-2-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyZFDWQRRKAYHNMR-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.27
Rot. Bonds2

About 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol

1,1,1-trifluoro-3-methylsulfanylpropan-2-ol (PubChem CID 63900436) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylsulfanylpropan-2-ol
PubChem CID63900436
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name1,1,1-trifluoro-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-9-2-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyZFDWQRRKAYHNMR-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol (CID 63900436) is 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol is CSCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol?
The InChIKey is ZFDWQRRKAYHNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c1-9-2-3(8)4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol?
1,1,1-trifluoro-3-methylsulfanylpropan-2-ol has a molecular weight of 160.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 63900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).