2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one

C11H11F2NO — CID 116606900

IUPAC2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-2-3-10(14)11(15)8-5-4-7(12)6-9(8)13/h2,4-6,10H,1,3,14H2
InChIKeyNDRWQWPYIKHGPQ-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one

2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one (PubChem CID 116606900) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
PubChem CID116606900
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-2-3-10(14)11(15)8-5-4-7(12)6-9(8)13/h2,4-6,10H,1,3,14H2
InChIKeyNDRWQWPYIKHGPQ-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one
CID 116606859
3-amino-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrate
CID 170876365
2-amino-1-(3,5-difluorophenyl)pent-4-en-1-one
CID 116607060
2-amino-3-(2,4-difluorophenyl)-3-oxopropanoic acid
CID 18700465
3-amino-1-(2-chloro-4-fluorophenyl)hex-5-en-2-one
CID 116606977
2-(2,4-difluorobenzoyl)propanedioic acid
CID 19379743
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988
3-amino-1-(4-fluorophenyl)hex-5-en-2-one
CID 116606869
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine;hydrochloride
CID 171218552
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one
CID 116607098
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one (CID 116606900) is 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one is C=CCC(N)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one?
The InChIKey is NDRWQWPYIKHGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-3-10(14)11(15)8-5-4-7(12)6-9(8)13/h2,4-6,10H,1,3,14H2.
What are the key properties of 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one?
2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one has a molecular weight of 211.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one is sourced from PubChem (CID 116606900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).