2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide

C10H18F2N2O2 — CID 103080635

IUPAC2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCOCC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h3,8-9,13H,1,4-7H2,2H3,(H,14,15)
InChIKeyCORBMXAFMGEEMB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.55
Rot. Bonds9

About 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide

2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide (PubChem CID 103080635) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
PubChem CID103080635
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCOCC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h3,8-9,13H,1,4-7H2,2H3,(H,14,15)
InChIKeyCORBMXAFMGEEMB-UHFFFAOYSA-N
XLogP0.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide (CID 103080635) is 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide?
The InChIKey is CORBMXAFMGEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h3,8-9,13H,1,4-7H2,2H3,(H,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide?
2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide has a molecular weight of 236.26 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 103080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).