1,1-bis(fluoromethyl)thiophene

C6H8F2S — CID 91351511

IUPAC1,1-bis(fluoromethyl)thiophene
SMILESFCS1(CF)C=CC=C1
InChIInChI=1S/C6H8F2S/c7-5-9(6-8)3-1-2-4-9/h1-4H,5-6H2
InChIKeyKRJAFVGFUDJYJO-UHFFFAOYSA-N
MW150.19 g/mol
LogP2.69
Rot. Bonds2

About 1,1-bis(fluoromethyl)thiophene

1,1-bis(fluoromethyl)thiophene (PubChem CID 91351511) has the molecular formula C6H8F2S and a molecular weight of 150.19 g/mol. Its IUPAC name is 1,1-bis(fluoromethyl)thiophene.

Molecular Properties

Compound Name1,1-bis(fluoromethyl)thiophene
PubChem CID91351511
Molecular FormulaC6H8F2S
Molecular Weight150.19 g/mol
Exact Mass150.03
IUPAC Name1,1-bis(fluoromethyl)thiophene
SMILESFCS1(CF)C=CC=C1
InChIInChI=1S/C6H8F2S/c7-5-9(6-8)3-1-2-4-9/h1-4H,5-6H2
InChIKeyKRJAFVGFUDJYJO-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(fluoromethyl)thiophene?
The IUPAC name of 1,1-bis(fluoromethyl)thiophene (CID 91351511) is 1,1-bis(fluoromethyl)thiophene.
What is the SMILES notation for 1,1-bis(fluoromethyl)thiophene?
The canonical SMILES for 1,1-bis(fluoromethyl)thiophene is FCS1(CF)C=CC=C1.
What is the InChIKey of 1,1-bis(fluoromethyl)thiophene?
The InChIKey is KRJAFVGFUDJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2S/c7-5-9(6-8)3-1-2-4-9/h1-4H,5-6H2.
What are the key properties of 1,1-bis(fluoromethyl)thiophene?
1,1-bis(fluoromethyl)thiophene has a molecular weight of 150.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(fluoromethyl)thiophene is sourced from PubChem (CID 91351511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).