2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol

C14H11F5O2S — CID 162511625

IUPAC2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccsc2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F5O2S/c1-21-11-4-2-9(3-5-11)12(20,10-6-7-22-8-10)13(15,16)14(17,18)19/h2-8,20H,1H3
InChIKeyYABKFHHLRGFSPY-UHFFFAOYSA-N
MW338.30 g/mol
LogP4.19
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol

2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 162511625) has the molecular formula C14H11F5O2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID162511625
Molecular FormulaC14H11F5O2S
Molecular Weight338.30 g/mol
Exact Mass338.04
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccsc2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F5O2S/c1-21-11-4-2-9(3-5-11)12(20,10-6-7-22-8-10)13(15,16)14(17,18)19/h2-8,20H,1H3
InChIKeyYABKFHHLRGFSPY-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
CID 162511568
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
CID 166059803
2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511487
2,2,2-trifluoro-1-phenyl-1-thiophen-3-ylethanol
CID 10611204
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 175254139
1-(3-bromophenyl)-2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)propan-1-ol
CID 162511470
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
ethane;3-methoxythiophene
CID 143563257

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol (CID 162511625) is 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol is COc1ccc(C(O)(c2ccsc2)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is YABKFHHLRGFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5O2S/c1-21-11-4-2-9(3-5-11)12(20,10-6-7-22-8-10)13(15,16)14(17,18)19/h2-8,20H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol?
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 338.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 162511625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).