2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione

C14H14FNO4 — CID 142092331

IUPAC2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione
SMILESC=C(F)C(=O)O.CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO2.C3H3FO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2(4)3(5)6/h3-6H,2,7H2,1H3;1H2,(H,5,6)
InChIKeyOLVYLEKBKWHAQV-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.25
Rot. Bonds3

About 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione

2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione (PubChem CID 142092331) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione.

Molecular Properties

Compound Name2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione
PubChem CID142092331
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione
SMILESC=C(F)C(=O)O.CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO2.C3H3FO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2(4)3(5)6/h3-6H,2,7H2,1H3;1H2,(H,5,6)
InChIKeyOLVYLEKBKWHAQV-UHFFFAOYSA-N
XLogP2.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
CID 171374663
CID 171374663
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione
CID 177146096
(Z)-4-(1,3-dioxoisoindol-2-yl)-2-fluorobut-2-enoic acid
CID 121008646
2-(4-dimethylphosphorylbutyl)isoindole-1,3-dione
CID 10084995
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
(E)-2-amino-7-(1,3-dioxoisoindol-2-yl)-3,4-difluorohept-3-enoic acid
CID 59075840
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-(7-propylsulfanylheptyl)isoindole-1,3-dione
CID 139959295

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione?
The IUPAC name of 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione (CID 142092331) is 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione.
What is the SMILES notation for 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione?
The canonical SMILES for 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione is C=C(F)C(=O)O.CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione?
The InChIKey is OLVYLEKBKWHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C3H3FO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2(4)3(5)6/h3-6H,2,7H2,1H3;1H2,(H,5,6).
What are the key properties of 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione?
2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione has a molecular weight of 279.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione is sourced from PubChem (CID 142092331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).