N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide

C6H9F2NO2 — CID 167098171

IUPACN-(1,1-difluoro-2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(F)(F)COC
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-6(7,8)4-11-2/h3H,1,4H2,2H3,(H,9,10)
InChIKeyHGGSFGQQLDLICK-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.53
Rot. Bonds4

About N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide

N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide (PubChem CID 167098171) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-difluoro-2-methoxyethyl)prop-2-enamide
PubChem CID167098171
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC NameN-(1,1-difluoro-2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(F)(F)COC
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-6(7,8)4-11-2/h3H,1,4H2,2H3,(H,9,10)
InChIKeyHGGSFGQQLDLICK-UHFFFAOYSA-N
XLogP0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide?
The IUPAC name of N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide (CID 167098171) is N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide?
The canonical SMILES for N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide is C=CC(=O)NC(F)(F)COC.
What is the InChIKey of N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide?
The InChIKey is HGGSFGQQLDLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-5(10)9-6(7,8)4-11-2/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide?
N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide has a molecular weight of 165.14 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 167098171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).