2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol

C7H5F5OS — CID 126971202

IUPAC2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol
SMILESOC(c1ccsc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h1-3,5,13H
InChIKeyODQXGTAMIYMTJP-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.98
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol

2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol (PubChem CID 126971202) has the molecular formula C7H5F5OS and a molecular weight of 232.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol
PubChem CID126971202
Molecular FormulaC7H5F5OS
Molecular Weight232.17 g/mol
Exact Mass232.00
IUPAC Name2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol
SMILESOC(c1ccsc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h1-3,5,13H
InChIKeyODQXGTAMIYMTJP-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol
CID 57915
2,2,2-Trifluoro-1-(thiophen-2-yl)ethan-1-ol
CID 10954147
Di(3-thienyl)methanol
CID 288490
5-(Trifluoromethyl)-3-thiophenemethanol
CID 19957393
1-(Thiophen-3-yl)propan-2-ol
CID 22901911
1-[4-(Trifluoromethyl)thiophen-2-yl]ethan-1-ol
CID 68589504
(2s)-1-(Thiophen-3-yl)propan-2-ol
CID 75406823
(alphaS)-alpha-Methyl-3-thiophenemethanol
CID 11297979
(5-(1,1,2,2,2-Pentafluoroethyl)thiophen-3-yl)methanol
CID 154577233
(R)-1,1,1-trifluoro-2-(thiophen-3-yl)pent-4-en-2-ol
CID 118988105
(R)-1,1,1-trifluoro-2-(thiophen-3-yl)penta-3,4-dien-2-ol
CID 118988106
(1S,2R)-2-fluoro-1-(thiophen-3-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415754

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol (CID 126971202) is 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol is OC(c1ccsc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol?
The InChIKey is ODQXGTAMIYMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h1-3,5,13H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol?
2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol has a molecular weight of 232.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 126971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).