3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

C12H20F2N2O2 — CID 107486723

IUPAC3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESO=C(CCOCC(F)F)NCCC1=CCNCC1
InChIInChI=1S/C12H20F2N2O2/c13-11(14)9-18-8-4-12(17)16-7-3-10-1-5-15-6-2-10/h1,11,15H,2-9H2,(H,16,17)
InChIKeyWQZAQZVJMDRDOZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.08
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107486723) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107486723
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESO=C(CCOCC(F)F)NCCC1=CCNCC1
InChIInChI=1S/C12H20F2N2O2/c13-11(14)9-18-8-4-12(17)16-7-3-10-1-5-15-6-2-10/h1,11,15H,2-9H2,(H,16,17)
InChIKeyWQZAQZVJMDRDOZ-UHFFFAOYSA-N
XLogP1.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107486694
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 107486969
3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107487265
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 107487341
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113626761
3-(2,2-difluoroethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 113788491
3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489841
N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 133832709
acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide
CID 143690450
3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486796
3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107487168
3-ethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107487411

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107486723) is 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is O=C(CCOCC(F)F)NCCC1=CCNCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is WQZAQZVJMDRDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c13-11(14)9-18-8-4-12(17)16-7-3-10-1-5-15-6-2-10/h1,11,15H,2-9H2,(H,16,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 262.30 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107486723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).