5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one

C11H11BrFNO — CID 23158333

IUPAC5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1CCCF
InChIInChI=1S/C11H11BrFNO/c12-9-2-3-10-8(6-9)7-14(11(10)15)5-1-4-13/h2-3,6H,1,4-5,7H2
InChIKeyNFMUDZWMHMQWQN-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one

5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one (PubChem CID 23158333) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one
PubChem CID23158333
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1CCCF
InChIInChI=1S/C11H11BrFNO/c12-9-2-3-10-8(6-9)7-14(11(10)15)5-1-4-13/h2-3,6H,1,4-5,7H2
InChIKeyNFMUDZWMHMQWQN-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one?
The IUPAC name of 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one (CID 23158333) is 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one is O=C1c2ccc(Br)cc2CN1CCCF.
What is the InChIKey of 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one?
The InChIKey is NFMUDZWMHMQWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-9-2-3-10-8(6-9)7-14(11(10)15)5-1-4-13/h2-3,6H,1,4-5,7H2.
What are the key properties of 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one?
5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one has a molecular weight of 272.12 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoropropyl)-3H-isoindol-1-one is sourced from PubChem (CID 23158333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).