5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile

C8H8F2N2S — CID 115405928

IUPAC5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC(F)F)c1
InChIInChI=1S/C8H8F2N2S/c9-8(10)4-12-3-7-1-6(2-11)5-13-7/h1,5,8,12H,3-4H2
InChIKeyUWYJNRJHUFWDCN-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.97
Rot. Bonds4

About 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile

5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 115405928) has the molecular formula C8H8F2N2S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
PubChem CID115405928
Molecular FormulaC8H8F2N2S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC(F)F)c1
InChIInChI=1S/C8H8F2N2S/c9-8(10)4-12-3-7-1-6(2-11)5-13-7/h1,5,8,12H,3-4H2
InChIKeyUWYJNRJHUFWDCN-UHFFFAOYSA-N
XLogP1.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carbonitrile
CID 79553786
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 103081001
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
5-[[(4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545257
5-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]thiophene-3-carbonitrile
CID 111696128
5-[(3-hydroxybutylamino)methyl]thiophene-3-carbonitrile
CID 79553008
5-[[4-(difluoromethylsulfanyl)anilino]methyl]thiophene-3-carbonitrile
CID 79614426
5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545191
5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79544897
5-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophene-3-carbonitrile
CID 115564177
5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79614229
5-[[(4-chlorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545494

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile (CID 115405928) is 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCC(F)F)c1.
What is the InChIKey of 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is UWYJNRJHUFWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2S/c9-8(10)4-12-3-7-1-6(2-11)5-13-7/h1,5,8,12H,3-4H2.
What are the key properties of 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile?
5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 202.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115405928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).