(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one

C6H10FNO — CID 45085397

IUPAC(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one
SMILESCC(=O)/C=C(\F)N(C)C
InChIInChI=1S/C6H10FNO/c1-5(9)4-6(7)8(2)3/h4H,1-3H3/b6-4+
InChIKeyBIPPFQSLYUVIDY-GQCTYLIASA-N
MW131.15 g/mol
LogP0.95
Rot. Bonds2

About (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one

(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one (PubChem CID 45085397) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one
PubChem CID45085397
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one
SMILESCC(=O)/C=C(\F)N(C)C
InChIInChI=1S/C6H10FNO/c1-5(9)4-6(7)8(2)3/h4H,1-3H3/b6-4+
InChIKeyBIPPFQSLYUVIDY-GQCTYLIASA-N
XLogP0.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.95
H-Bond Donors ≤ 50
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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Related Compounds

(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2063589
(3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 2779437
(3Z)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2303874
(E)-4-(dimethylamino)-4-fluorobut-3-en-2-one
CID 134986407
1-(2-Fluoroethyl)-4-pyridone
CID 14651887
(E)-4-fluoro-4-(methylamino)but-3-en-2-one
CID 59116116
3-Fluoro-1-methylpyridin-4(1H)-one
CID 121232049
(Z)-4-chloro-4-(dimethylamino)but-3-en-2-one
CID 134921422
(Z)-4-bromo-4-(dimethylamino)but-3-en-2-one
CID 134921611
(E)-4-chloro-4-(dimethylamino)but-3-en-2-one
CID 134987318
(E)-4-bromo-4-(dimethylamino)but-3-en-2-one
CID 134987321
4-(Dimethylamino)but-3-en-2-one;vanadium
CID 59797241

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one?
The IUPAC name of (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one (CID 45085397) is (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one.
What is the SMILES notation for (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one?
The canonical SMILES for (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one is CC(=O)/C=C(\F)N(C)C.
What is the InChIKey of (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one?
The InChIKey is BIPPFQSLYUVIDY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)4-6(7)8(2)3/h4H,1-3H3/b6-4+.
What are the key properties of (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one?
(Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-4-fluorobut-3-en-2-one is sourced from PubChem (CID 45085397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).