2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H8F8OS — CID 162511306

IUPAC2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F8OS/c15-12(16,17)9-4-1-3-8(7-9)11(23,10-5-2-6-24-10)13(18,19)14(20,21)22/h1-7,23H
InChIKeyVJFTURATCLXRSM-UHFFFAOYSA-N
MW376.27 g/mol
LogP5.20
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 162511306) has the molecular formula C14H8F8OS and a molecular weight of 376.27 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID162511306
Molecular FormulaC14H8F8OS
Molecular Weight376.27 g/mol
Exact Mass376.02
IUPAC Name2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1cccc(C(F)(F)F)c1)(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F8OS/c15-12(16,17)9-4-1-3-8(7-9)11(23,10-5-2-6-24-10)13(18,19)14(20,21)22/h1-7,23H
InChIKeyVJFTURATCLXRSM-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 162511306) is 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is OC(c1cccc(C(F)(F)F)c1)(c1cccs1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is VJFTURATCLXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F8OS/c15-12(16,17)9-4-1-3-8(7-9)11(23,10-5-2-6-24-10)13(18,19)14(20,21)22/h1-7,23H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 376.27 g/mol, XLogP of 5.20, 3 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-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 162511306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).