(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol

C11H11F3OS — CID 163132831

IUPAC(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
SMILESO[C@](C=C1CCC1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C11H11F3OS/c12-11(13,14)10(15,7-8-3-1-4-8)9-5-2-6-16-9/h2,5-7,15H,1,3-4H2/t10-/m1/s1
InChIKeyGUWYDURDCKIMOC-SNVBAGLBSA-N
MW248.27 g/mol
LogP3.61
Rot. Bonds2

About (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol

(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol (PubChem CID 163132831) has the molecular formula C11H11F3OS and a molecular weight of 248.27 g/mol. Its IUPAC name is (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
PubChem CID163132831
Molecular FormulaC11H11F3OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
SMILESO[C@](C=C1CCC1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C11H11F3OS/c12-11(13,14)10(15,7-8-3-1-4-8)9-5-2-6-16-9/h2,5-7,15H,1,3-4H2/t10-/m1/s1
InChIKeyGUWYDURDCKIMOC-SNVBAGLBSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
CID 95011095
1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol
CID 10779091
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149
2-[chloro(difluoro)methyl]thiophene
CID 15727491
2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 71985104
2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
CID 96567021
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
CID 15711447
(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol
CID 125470976
2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511306
1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
CID 14717701

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol (CID 163132831) is (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol is O[C@](C=C1CCC1)(c1cccs1)C(F)(F)F.
What is the InChIKey of (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The InChIKey is GUWYDURDCKIMOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3OS/c12-11(13,14)10(15,7-8-3-1-4-8)9-5-2-6-16-9/h2,5-7,15H,1,3-4H2/t10-/m1/s1.
What are the key properties of (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol has a molecular weight of 248.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 163132831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).