2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

C8H12F2N2O — CID 103514298

IUPAC2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESO=C(NCC1=CCNCC1)C(F)F
InChIInChI=1S/C8H12F2N2O/c9-7(10)8(13)12-5-6-1-3-11-4-2-6/h1,7,11H,2-5H2,(H,12,13)
InChIKeyYBDNIZFKHXCILU-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.29
Rot. Bonds3

About 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (PubChem CID 103514298) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
PubChem CID103514298
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESO=C(NCC1=CCNCC1)C(F)F
InChIInChI=1S/C8H12F2N2O/c9-7(10)8(13)12-5-6-1-3-11-4-2-6/h1,7,11H,2-5H2,(H,12,13)
InChIKeyYBDNIZFKHXCILU-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (CID 103514298) is 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is O=C(NCC1=CCNCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The InChIKey is YBDNIZFKHXCILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-7(10)8(13)12-5-6-1-3-11-4-2-6/h1,7,11H,2-5H2,(H,12,13).
What are the key properties of 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide has a molecular weight of 190.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 103514298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).