2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine

C7H10F2N2 — CID 115405774

IUPAC2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cc[nH]c1
InChIInChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2
InChIKeyQLAMWAHYLABHOZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.37
Rot. Bonds4

About 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine

2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 115405774) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID115405774
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cc[nH]c1
InChIInChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2
InChIKeyQLAMWAHYLABHOZ-UHFFFAOYSA-N
XLogP1.37
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 115405774) is 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine is FC(F)CNCc1cc[nH]c1.
What is the InChIKey of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is QLAMWAHYLABHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3,7,10-11H,4-5H2.
What are the key properties of 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 160.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 115405774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).