3-(fluoromethyl)thiophene

C5H5FS — CID 15640922

IUPAC3-(fluoromethyl)thiophene
SMILESFCc1ccsc1
InChIInChI=1S/C5H5FS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyHQSAZFORPAACDX-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.22
Rot. Bonds1

About 3-(fluoromethyl)thiophene

3-(fluoromethyl)thiophene (PubChem CID 15640922) has the molecular formula C5H5FS and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(fluoromethyl)thiophene.

Molecular Properties

Compound Name3-(fluoromethyl)thiophene
PubChem CID15640922
Molecular FormulaC5H5FS
Molecular Weight116.16 g/mol
Exact Mass116.01
IUPAC Name3-(fluoromethyl)thiophene
SMILESFCc1ccsc1
InChIInChI=1S/C5H5FS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyHQSAZFORPAACDX-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)thiophene?
The IUPAC name of 3-(fluoromethyl)thiophene (CID 15640922) is 3-(fluoromethyl)thiophene.
What is the SMILES notation for 3-(fluoromethyl)thiophene?
The canonical SMILES for 3-(fluoromethyl)thiophene is FCc1ccsc1.
What is the InChIKey of 3-(fluoromethyl)thiophene?
The InChIKey is HQSAZFORPAACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2.
What are the key properties of 3-(fluoromethyl)thiophene?
3-(fluoromethyl)thiophene has a molecular weight of 116.16 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)thiophene is sourced from PubChem (CID 15640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).