(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one

C6H10FNO — CID 174009816

IUPAC(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one
SMILESCNC/C(=C/F)C(C)=O
InChIInChI=1S/C6H10FNO/c1-5(9)6(3-7)4-8-2/h3,8H,4H2,1-2H3/b6-3-
InChIKeyDNMDNUUDUOXFJU-UTCJRWHESA-N
MW131.15 g/mol
LogP0.65
Rot. Bonds3

About (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one

(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one (PubChem CID 174009816) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one
PubChem CID174009816
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one
SMILESCNC/C(=C/F)C(C)=O
InChIInChI=1S/C6H10FNO/c1-5(9)6(3-7)4-8-2/h3,8H,4H2,1-2H3/b6-3-
InChIKeyDNMDNUUDUOXFJU-UTCJRWHESA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one?
The IUPAC name of (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one (CID 174009816) is (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one is CNC/C(=C/F)C(C)=O.
What is the InChIKey of (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one?
The InChIKey is DNMDNUUDUOXFJU-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)6(3-7)4-8-2/h3,8H,4H2,1-2H3/b6-3-.
What are the key properties of (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one?
(Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-3-(methylaminomethyl)but-3-en-2-one is sourced from PubChem (CID 174009816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).