7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one

C12H11ClFNO — CID 67251506

IUPAC7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one
SMILESCC1c2cc(F)cc(Cl)c2C(=O)N1C1CC1
InChIInChI=1S/C12H11ClFNO/c1-6-9-4-7(14)5-10(13)11(9)12(16)15(6)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDGEUQVGCWAPFAU-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.16
Rot. Bonds1

About 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one

7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one (PubChem CID 67251506) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one
PubChem CID67251506
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one
SMILESCC1c2cc(F)cc(Cl)c2C(=O)N1C1CC1
InChIInChI=1S/C12H11ClFNO/c1-6-9-4-7(14)5-10(13)11(9)12(16)15(6)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyDGEUQVGCWAPFAU-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one (CID 67251506) is 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one is CC1c2cc(F)cc(Cl)c2C(=O)N1C1CC1.
What is the InChIKey of 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one?
The InChIKey is DGEUQVGCWAPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-6-9-4-7(14)5-10(13)11(9)12(16)15(6)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one?
7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one has a molecular weight of 239.68 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-5-fluoro-3-methyl-3H-isoindol-1-one is sourced from PubChem (CID 67251506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).