2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine

C7H10F2N2S — CID 115406063

IUPAC2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCC(F)F
InChIInChI=1S/C7H10F2N2S/c8-7(9)4-11-3-6-5(10)1-2-12-6/h1-2,7,11H,3-4,10H2
InChIKeyHNNHSFYXKUYSRZ-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine

2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine (PubChem CID 115406063) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine
PubChem CID115406063
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCC(F)F
InChIInChI=1S/C7H10F2N2S/c8-7(9)4-11-3-6-5(10)1-2-12-6/h1-2,7,11H,3-4,10H2
InChIKeyHNNHSFYXKUYSRZ-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine (CID 115406063) is 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCC(F)F.
What is the InChIKey of 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine?
The InChIKey is HNNHSFYXKUYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c8-7(9)4-11-3-6-5(10)1-2-12-6/h1-2,7,11H,3-4,10H2.
What are the key properties of 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine?
2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine has a molecular weight of 192.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 115406063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).