4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile

C9HF6NS2 — CID 131986514

IUPAC4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile
SMILESN#Cc1cc2c(C(F)(F)F)sc(C(F)(F)F)c2s1
InChIInChI=1S/C9HF6NS2/c10-8(11,12)6-4-1-3(2-16)17-5(4)7(18-6)9(13,14)15/h1H
InChIKeyZVYBOGSIRDWEEF-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.87
Rot. Bonds

About 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile

4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile (PubChem CID 131986514) has the molecular formula C9HF6NS2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile
PubChem CID131986514
Molecular FormulaC9HF6NS2
Molecular Weight301.24 g/mol
Exact Mass300.95
IUPAC Name4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile
SMILESN#Cc1cc2c(C(F)(F)F)sc(C(F)(F)F)c2s1
InChIInChI=1S/C9HF6NS2/c10-8(11,12)6-4-1-3(2-16)17-5(4)7(18-6)9(13,14)15/h1H
InChIKeyZVYBOGSIRDWEEF-UHFFFAOYSA-N
XLogP4.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile?
The IUPAC name of 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile (CID 131986514) is 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile.
What is the SMILES notation for 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile?
The canonical SMILES for 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile is N#Cc1cc2c(C(F)(F)F)sc(C(F)(F)F)c2s1.
What is the InChIKey of 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile?
The InChIKey is ZVYBOGSIRDWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF6NS2/c10-8(11,12)6-4-1-3(2-16)17-5(4)7(18-6)9(13,14)15/h1H.
What are the key properties of 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile?
4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile has a molecular weight of 301.24 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile is sourced from PubChem (CID 131986514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).