N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide

C6H10FNO2 — CID 170368251

IUPACN-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
SMILESCOCC(=O)NC/C=C/F
InChIInChI=1S/C6H10FNO2/c1-10-5-6(9)8-4-2-3-7/h2-3H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyKLOMHLZFOHUVBA-NSCUHMNNSA-N
MW147.15 g/mol
LogP0.23
Rot. Bonds4

About N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide

N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide (PubChem CID 170368251) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
PubChem CID170368251
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC NameN-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
SMILESCOCC(=O)NC/C=C/F
InChIInChI=1S/C6H10FNO2/c1-10-5-6(9)8-4-2-3-7/h2-3H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyKLOMHLZFOHUVBA-NSCUHMNNSA-N
XLogP0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide?
The IUPAC name of N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide (CID 170368251) is N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide?
The canonical SMILES for N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide is COCC(=O)NC/C=C/F.
What is the InChIKey of N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide?
The InChIKey is KLOMHLZFOHUVBA-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-10-5-6(9)8-4-2-3-7/h2-3H,4-5H2,1H3,(H,8,9)/b3-2+.
What are the key properties of N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide?
N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide has a molecular weight of 147.15 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide is sourced from PubChem (CID 170368251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).