4-methyl-5-(methylamino)-5-oxopentanoyl fluoride

C7H12FNO2 — CID 20695613

IUPAC4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
SMILESCNC(=O)C(C)CCC(=O)F
InChIInChI=1S/C7H12FNO2/c1-5(7(11)9-2)3-4-6(8)10/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyOZUZHNQSRCDWKE-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.64
Rot. Bonds4

About 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride

4-methyl-5-(methylamino)-5-oxopentanoyl fluoride (PubChem CID 20695613) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride.

Molecular Properties

Compound Name4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
PubChem CID20695613
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
SMILESCNC(=O)C(C)CCC(=O)F
InChIInChI=1S/C7H12FNO2/c1-5(7(11)9-2)3-4-6(8)10/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyOZUZHNQSRCDWKE-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride?
The IUPAC name of 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride (CID 20695613) is 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride.
What is the SMILES notation for 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride?
The canonical SMILES for 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride is CNC(=O)C(C)CCC(=O)F.
What is the InChIKey of 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride?
The InChIKey is OZUZHNQSRCDWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(7(11)9-2)3-4-6(8)10/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride?
4-methyl-5-(methylamino)-5-oxopentanoyl fluoride has a molecular weight of 161.18 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylamino)-5-oxopentanoyl fluoride is sourced from PubChem (CID 20695613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).