(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol

C11H5F5OS — CID 61088441

IUPAC(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H5F5OS/c12-6-5(11(17)4-2-1-3-18-4)7(13)9(15)10(16)8(6)14/h1-3,11,17H
InChIKeyUXZYACNBFWXWBA-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.53
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol

(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol (PubChem CID 61088441) has the molecular formula C11H5F5OS and a molecular weight of 280.22 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol
PubChem CID61088441
Molecular FormulaC11H5F5OS
Molecular Weight280.22 g/mol
Exact Mass280.00
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H5F5OS/c12-6-5(11(17)4-2-1-3-18-4)7(13)9(15)10(16)8(6)14/h1-3,11,17H
InChIKeyUXZYACNBFWXWBA-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol (CID 61088441) is (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol is OC(c1cccs1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol?
The InChIKey is UXZYACNBFWXWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5OS/c12-6-5(11(17)4-2-1-3-18-4)7(13)9(15)10(16)8(6)14/h1-3,11,17H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol?
(2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol has a molecular weight of 280.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 61088441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).