3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

C10H17F2NO3 — CID 103209181

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)CCOCC(F)F
InChIInChI=1S/C10H17F2NO3/c1-2-4-13(5-6-14)10(15)3-7-16-8-9(11)12/h2,9,14H,1,3-8H2
InChIKeyABYSQUYVEQZIGH-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.67
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (PubChem CID 103209181) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
PubChem CID103209181
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)CCOCC(F)F
InChIInChI=1S/C10H17F2NO3/c1-2-4-13(5-6-14)10(15)3-7-16-8-9(11)12/h2,9,14H,1,3-8H2
InChIKeyABYSQUYVEQZIGH-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (CID 103209181) is 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is C=CCN(CCO)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The InChIKey is ABYSQUYVEQZIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-2-4-13(5-6-14)10(15)3-7-16-8-9(11)12/h2,9,14H,1,3-8H2.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide has a molecular weight of 237.25 g/mol, XLogP of 0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 103209181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).