5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile

C14H5F6N3S — CID 54771191

IUPAC5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H5F6N3S/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)11-9(4-21)12(23)24-10(11)5-22/h1-3H,23H2
InChIKeyCXIGAWZTOWVAEX-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.78
Rot. Bonds1

About 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile

5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile (PubChem CID 54771191) has the molecular formula C14H5F6N3S and a molecular weight of 361.27 g/mol. Its IUPAC name is 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile
PubChem CID54771191
Molecular FormulaC14H5F6N3S
Molecular Weight361.27 g/mol
Exact Mass361.01
IUPAC Name5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N)c(C#N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H5F6N3S/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)11-9(4-21)12(23)24-10(11)5-22/h1-3H,23H2
InChIKeyCXIGAWZTOWVAEX-UHFFFAOYSA-N
XLogP4.78
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile?
The IUPAC name of 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile (CID 54771191) is 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile is N#Cc1sc(N)c(C#N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile?
The InChIKey is CXIGAWZTOWVAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F6N3S/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)11-9(4-21)12(23)24-10(11)5-22/h1-3H,23H2.
What are the key properties of 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile?
5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile has a molecular weight of 361.27 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 54771191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).