2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine

C7H9F2NS — CID 63248352

IUPAC2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1ccsc1
InChIInChI=1S/C7H9F2NS/c8-7(9)4-10-3-6-1-2-11-5-6/h1-2,5,7,10H,3-4H2
InChIKeyIIUYNPFXUCFOTA-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.10
Rot. Bonds4

About 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine

2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 63248352) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID63248352
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1ccsc1
InChIInChI=1S/C7H9F2NS/c8-7(9)4-10-3-6-1-2-11-5-6/h1-2,5,7,10H,3-4H2
InChIKeyIIUYNPFXUCFOTA-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine (CID 63248352) is 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine is FC(F)CNCc1ccsc1.
What is the InChIKey of 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is IIUYNPFXUCFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c8-7(9)4-10-3-6-1-2-11-5-6/h1-2,5,7,10H,3-4H2.
What are the key properties of 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine?
2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 177.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 63248352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).