1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

C13H10Cl3FOS — CID 65146324

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FOS/c1-13(18,6-7-2-3-12(16)19-7)8-4-11(17)10(15)5-9(8)14/h2-5,18H,6H2,1H3
InChIKeyROAXUQXEROWEHI-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.30
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol

1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (PubChem CID 65146324) has the molecular formula C13H10Cl3FOS and a molecular weight of 339.65 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
PubChem CID65146324
Molecular FormulaC13H10Cl3FOS
Molecular Weight339.65 g/mol
Exact Mass337.95
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FOS/c1-13(18,6-7-2-3-12(16)19-7)8-4-11(17)10(15)5-9(8)14/h2-5,18H,6H2,1H3
InChIKeyROAXUQXEROWEHI-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol (CID 65146324) is 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is CC(O)(Cc1ccc(Cl)s1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
The InChIKey is ROAXUQXEROWEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FOS/c1-13(18,6-7-2-3-12(16)19-7)8-4-11(17)10(15)5-9(8)14/h2-5,18H,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol?
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol has a molecular weight of 339.65 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65146324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).