2-(1-fluoropentyl)isoindole-1,3-dione

C13H14FNO2 — CID 126495372

IUPAC2-(1-fluoropentyl)isoindole-1,3-dione
SMILESCCCCC(F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14FNO2/c1-2-3-8-11(14)15-12(16)9-6-4-5-7-10(9)13(15)17/h4-7,11H,2-3,8H2,1H3
InChIKeyRRTKFWNAOCUGCO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.77
Rot. Bonds4

About 2-(1-fluoropentyl)isoindole-1,3-dione

2-(1-fluoropentyl)isoindole-1,3-dione (PubChem CID 126495372) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(1-fluoropentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-fluoropentyl)isoindole-1,3-dione
PubChem CID126495372
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-(1-fluoropentyl)isoindole-1,3-dione
SMILESCCCCC(F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14FNO2/c1-2-3-8-11(14)15-12(16)9-6-4-5-7-10(9)13(15)17/h4-7,11H,2-3,8H2,1H3
InChIKeyRRTKFWNAOCUGCO-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
2-(4-chlorononan-5-yl)isoindole-1,3-dione
CID 86194324
2-(5-chlorononan-4-yl)isoindole-1,3-dione
CID 86194296
2-(5-bromononan-4-yl)isoindole-1,3-dione
CID 86194316
2-(1-bromoundecyl)isoindole-1,3-dione
CID 146464278
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-oct-1-yn-3-ylisoindole-1,3-dione
CID 11368854
tributyl-[(1,3-dioxoisoindol-2-yl)methyl]phosphanium bromide
CID 22165400
2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
CID 15354128
2-[2-(dihexylamino)-1-(1,3-dioxoisoindol-2-yl)hexyl]isoindole-1,3-dione
CID 122368949
(2S,3S)-4-butyl-2-(1,3-dioxoisoindol-2-yl)-3-hydroxyoctanal
CID 101356122

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropentyl)isoindole-1,3-dione?
The IUPAC name of 2-(1-fluoropentyl)isoindole-1,3-dione (CID 126495372) is 2-(1-fluoropentyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-fluoropentyl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-fluoropentyl)isoindole-1,3-dione is CCCCC(F)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-fluoropentyl)isoindole-1,3-dione?
The InChIKey is RRTKFWNAOCUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-3-8-11(14)15-12(16)9-6-4-5-7-10(9)13(15)17/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-(1-fluoropentyl)isoindole-1,3-dione?
2-(1-fluoropentyl)isoindole-1,3-dione has a molecular weight of 235.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropentyl)isoindole-1,3-dione is sourced from PubChem (CID 126495372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).