1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol

C19H12F2OS — CID 54762519

IUPAC1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H12F2OS/c20-16-7-3-14(4-8-16)19(22,12-11-18-2-1-13-23-18)15-5-9-17(21)10-6-15/h1-10,13,22H
InChIKeyFBMVYCJJCPABCI-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.31
Rot. Bonds2

About 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol

1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol (PubChem CID 54762519) has the molecular formula C19H12F2OS and a molecular weight of 326.37 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol
PubChem CID54762519
Molecular FormulaC19H12F2OS
Molecular Weight326.37 g/mol
Exact Mass326.06
IUPAC Name1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H12F2OS/c20-16-7-3-14(4-8-16)19(22,12-11-18-2-1-13-23-18)15-5-9-17(21)10-6-15/h1-10,13,22H
InChIKeyFBMVYCJJCPABCI-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol (CID 54762519) is 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol is OC(C#Cc1cccs1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol?
The InChIKey is FBMVYCJJCPABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2OS/c20-16-7-3-14(4-8-16)19(22,12-11-18-2-1-13-23-18)15-5-9-17(21)10-6-15/h1-10,13,22H.
What are the key properties of 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol?
1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol has a molecular weight of 326.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-3-thiophen-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 54762519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).