2-chloro-4-fluorothiophen-3-ol

C4H2ClFOS — CID 71773940

IUPAC2-chloro-4-fluorothiophen-3-ol
SMILESOc1c(F)csc1Cl
InChIInChI=1S/C4H2ClFOS/c5-4-3(7)2(6)1-8-4/h1,7H
InChIKeySQSSLSLOMBFPDT-UHFFFAOYSA-N
MW152.58 g/mol
LogP2.25
Rot. Bonds

About 2-chloro-4-fluorothiophen-3-ol

2-chloro-4-fluorothiophen-3-ol (PubChem CID 71773940) has the molecular formula C4H2ClFOS and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-4-fluorothiophen-3-ol.

Molecular Properties

Compound Name2-chloro-4-fluorothiophen-3-ol
PubChem CID71773940
Molecular FormulaC4H2ClFOS
Molecular Weight152.58 g/mol
Exact Mass151.95
IUPAC Name2-chloro-4-fluorothiophen-3-ol
SMILESOc1c(F)csc1Cl
InChIInChI=1S/C4H2ClFOS/c5-4-3(7)2(6)1-8-4/h1,7H
InChIKeySQSSLSLOMBFPDT-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluorothiophen-3-ol?
The IUPAC name of 2-chloro-4-fluorothiophen-3-ol (CID 71773940) is 2-chloro-4-fluorothiophen-3-ol.
What is the SMILES notation for 2-chloro-4-fluorothiophen-3-ol?
The canonical SMILES for 2-chloro-4-fluorothiophen-3-ol is Oc1c(F)csc1Cl.
What is the InChIKey of 2-chloro-4-fluorothiophen-3-ol?
The InChIKey is SQSSLSLOMBFPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFOS/c5-4-3(7)2(6)1-8-4/h1,7H.
What are the key properties of 2-chloro-4-fluorothiophen-3-ol?
2-chloro-4-fluorothiophen-3-ol has a molecular weight of 152.58 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluorothiophen-3-ol is sourced from PubChem (CID 71773940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).