4-fluorothiophene-3-carbonitrile

C5H2FNS — CID 121229191

IUPAC4-fluorothiophene-3-carbonitrile
SMILESN#Cc1cscc1F
InChIInChI=1S/C5H2FNS/c6-5-3-8-2-4(5)1-7/h2-3H
InChIKeyKRBLPWNEISEUKG-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.76
Rot. Bonds

About 4-fluorothiophene-3-carbonitrile

4-fluorothiophene-3-carbonitrile (PubChem CID 121229191) has the molecular formula C5H2FNS and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-fluorothiophene-3-carbonitrile.

Molecular Properties

Compound Name4-fluorothiophene-3-carbonitrile
PubChem CID121229191
Molecular FormulaC5H2FNS
Molecular Weight127.14 g/mol
Exact Mass126.99
IUPAC Name4-fluorothiophene-3-carbonitrile
SMILESN#Cc1cscc1F
InChIInChI=1S/C5H2FNS/c6-5-3-8-2-4(5)1-7/h2-3H
InChIKeyKRBLPWNEISEUKG-UHFFFAOYSA-N
XLogP1.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluorothiophene-3-carbonitrile?
The IUPAC name of 4-fluorothiophene-3-carbonitrile (CID 121229191) is 4-fluorothiophene-3-carbonitrile.
What is the SMILES notation for 4-fluorothiophene-3-carbonitrile?
The canonical SMILES for 4-fluorothiophene-3-carbonitrile is N#Cc1cscc1F.
What is the InChIKey of 4-fluorothiophene-3-carbonitrile?
The InChIKey is KRBLPWNEISEUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FNS/c6-5-3-8-2-4(5)1-7/h2-3H.
What are the key properties of 4-fluorothiophene-3-carbonitrile?
4-fluorothiophene-3-carbonitrile has a molecular weight of 127.14 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorothiophene-3-carbonitrile is sourced from PubChem (CID 121229191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).