4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide

C7H12FNO3 — CID 155067042

IUPAC4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CC(O)F)C(=O)N(C)OC
InChIInChI=1S/C7H12FNO3/c1-5(4-6(8)10)7(11)9(2)12-3/h6,10H,1,4H2,2-3H3
InChIKeySNVSIPUYWRAJGP-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.24
Rot. Bonds4

About 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide

4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide (PubChem CID 155067042) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide.

Molecular Properties

Compound Name4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide
PubChem CID155067042
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CC(O)F)C(=O)N(C)OC
InChIInChI=1S/C7H12FNO3/c1-5(4-6(8)10)7(11)9(2)12-3/h6,10H,1,4H2,2-3H3
InChIKeySNVSIPUYWRAJGP-UHFFFAOYSA-N
XLogP0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide?
The IUPAC name of 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide (CID 155067042) is 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide.
What is the SMILES notation for 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide?
The canonical SMILES for 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide is C=C(CC(O)F)C(=O)N(C)OC.
What is the InChIKey of 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide?
The InChIKey is SNVSIPUYWRAJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-5(4-6(8)10)7(11)9(2)12-3/h6,10H,1,4H2,2-3H3.
What are the key properties of 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide?
4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide has a molecular weight of 177.17 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide is sourced from PubChem (CID 155067042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).