1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione

C9H12FNO2 — CID 125475529

IUPAC1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
SMILESCC[C@H](F)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12FNO2/c1-2-7(10)5-6-11-8(12)3-4-9(11)13/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1
InChIKeyNASVSDURBUSAKR-ZETCQYMHSA-N
MW185.20 g/mol
LogP1.05
Rot. Bonds4

About 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione

1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione (PubChem CID 125475529) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
PubChem CID125475529
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
SMILESCC[C@H](F)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12FNO2/c1-2-7(10)5-6-11-8(12)3-4-9(11)13/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1
InChIKeyNASVSDURBUSAKR-ZETCQYMHSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione (CID 125475529) is 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione is CC[C@H](F)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione?
The InChIKey is NASVSDURBUSAKR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-2-7(10)5-6-11-8(12)3-4-9(11)13/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione?
1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione has a molecular weight of 185.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione is sourced from PubChem (CID 125475529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).