2-chloro-3-fluorothiophene

C4H2ClFS — CID 57001539

IUPAC2-chloro-3-fluorothiophene
SMILESFc1ccsc1Cl
InChIInChI=1S/C4H2ClFS/c5-4-3(6)1-2-7-4/h1-2H
InChIKeyYPKKBRKJRSIFBU-UHFFFAOYSA-N
MW136.58 g/mol
LogP2.54
Rot. Bonds

About 2-chloro-3-fluorothiophene

2-chloro-3-fluorothiophene (PubChem CID 57001539) has the molecular formula C4H2ClFS and a molecular weight of 136.58 g/mol. Its IUPAC name is 2-chloro-3-fluorothiophene.

Molecular Properties

Compound Name2-chloro-3-fluorothiophene
PubChem CID57001539
Molecular FormulaC4H2ClFS
Molecular Weight136.58 g/mol
Exact Mass135.95
IUPAC Name2-chloro-3-fluorothiophene
SMILESFc1ccsc1Cl
InChIInChI=1S/C4H2ClFS/c5-4-3(6)1-2-7-4/h1-2H
InChIKeyYPKKBRKJRSIFBU-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluorothiophene?
The IUPAC name of 2-chloro-3-fluorothiophene (CID 57001539) is 2-chloro-3-fluorothiophene.
What is the SMILES notation for 2-chloro-3-fluorothiophene?
The canonical SMILES for 2-chloro-3-fluorothiophene is Fc1ccsc1Cl.
What is the InChIKey of 2-chloro-3-fluorothiophene?
The InChIKey is YPKKBRKJRSIFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFS/c5-4-3(6)1-2-7-4/h1-2H.
What are the key properties of 2-chloro-3-fluorothiophene?
2-chloro-3-fluorothiophene has a molecular weight of 136.58 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluorothiophene is sourced from PubChem (CID 57001539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).