3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one

C15H17F2NO — CID 114059452

IUPAC3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one
SMILESC=CCN(CC=C)CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-3-9-18(10-4-2)11-8-14(19)12-6-5-7-13(16)15(12)17/h3-7H,1-2,8-11H2
InChIKeyXNWBRXOIGCEUAX-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.21
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one

3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one (PubChem CID 114059452) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one
PubChem CID114059452
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one
SMILESC=CCN(CC=C)CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c1-3-9-18(10-4-2)11-8-14(19)12-6-5-7-13(16)15(12)17/h3-7H,1-2,8-11H2
InChIKeyXNWBRXOIGCEUAX-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
CID 110175440
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
1-(2,3-difluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 114059454
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
3-[[2-(2-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326624
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792182
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(2-bromo-3-fluorophenyl)pent-4-en-1-one
CID 114974946
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090
6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
CID 116581531
3-(2-fluoro-N-prop-2-enylanilino)propanoic acid
CID 82317541
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one (CID 114059452) is 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one is C=CCN(CC=C)CCC(=O)c1cccc(F)c1F.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one?
The InChIKey is XNWBRXOIGCEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-9-18(10-4-2)11-8-14(19)12-6-5-7-13(16)15(12)17/h3-7H,1-2,8-11H2.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one?
3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one has a molecular weight of 265.30 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-(2,3-difluorophenyl)propan-1-one is sourced from PubChem (CID 114059452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).