3-chloro-4-fluorothiophene

C4H2ClFS — CID 54164418

IUPAC3-chloro-4-fluorothiophene
SMILESFc1cscc1Cl
InChIInChI=1S/C4H2ClFS/c5-3-1-7-2-4(3)6/h1-2H
InChIKeyUMURPMRYHZRQKB-UHFFFAOYSA-N
MW136.58 g/mol
LogP2.54
Rot. Bonds

About 3-chloro-4-fluorothiophene

3-chloro-4-fluorothiophene (PubChem CID 54164418) has the molecular formula C4H2ClFS and a molecular weight of 136.58 g/mol. Its IUPAC name is 3-chloro-4-fluorothiophene.

Molecular Properties

Compound Name3-chloro-4-fluorothiophene
PubChem CID54164418
Molecular FormulaC4H2ClFS
Molecular Weight136.58 g/mol
Exact Mass135.95
IUPAC Name3-chloro-4-fluorothiophene
SMILESFc1cscc1Cl
InChIInChI=1S/C4H2ClFS/c5-3-1-7-2-4(3)6/h1-2H
InChIKeyUMURPMRYHZRQKB-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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Related Compounds

3,4-Dichlorothiophene
CID 140205
2,3,4-Trichlorothiophene
CID 140206
2-Chloro-3-fluorothiophene
CID 57001539
4-Chloro-2-fluorothiophene
CID 21732095
2-Chloro-4-fluorothiophene
CID 21732106
3-Chloro-4-(trifluoromethyl)thiophene
CID 23058038
3-Chloro-2-fluorothiophene
CID 23261665
3-Chloro-2-fluoro-4-methylthiophene
CID 138494994
2,3-Dichloro-4-fluorothiophene
CID 150179031
4-Chloro-2-fluoro-3-methylthiophene
CID 166808470
4-Bromo-3-chloro-2-fluorothiophene
CID 176183554
(4-Chlorothiophen-3-yl)-trifluoroboranuide
CID 165995007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluorothiophene?
The IUPAC name of 3-chloro-4-fluorothiophene (CID 54164418) is 3-chloro-4-fluorothiophene.
What is the SMILES notation for 3-chloro-4-fluorothiophene?
The canonical SMILES for 3-chloro-4-fluorothiophene is Fc1cscc1Cl.
What is the InChIKey of 3-chloro-4-fluorothiophene?
The InChIKey is UMURPMRYHZRQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFS/c5-3-1-7-2-4(3)6/h1-2H.
What are the key properties of 3-chloro-4-fluorothiophene?
3-chloro-4-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 3-chloro-4-fluorothiophene is sourced from PubChem (CID 54164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).