2-cyclohexyl-5-fluoro-3H-isoindol-1-one

C14H16FNO — CID 135058491

IUPAC2-cyclohexyl-5-fluoro-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2CN1C1CCCCC1
InChIInChI=1S/C14H16FNO/c15-11-6-7-13-10(8-11)9-16(14(13)17)12-4-2-1-3-5-12/h6-8,12H,1-5,9H2
InChIKeyWVCJKPXUDMRJTN-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.11
Rot. Bonds1

About 2-cyclohexyl-5-fluoro-3H-isoindol-1-one

2-cyclohexyl-5-fluoro-3H-isoindol-1-one (PubChem CID 135058491) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-fluoro-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-5-fluoro-3H-isoindol-1-one
PubChem CID135058491
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-cyclohexyl-5-fluoro-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2CN1C1CCCCC1
InChIInChI=1S/C14H16FNO/c15-11-6-7-13-10(8-11)9-16(14(13)17)12-4-2-1-3-5-12/h6-8,12H,1-5,9H2
InChIKeyWVCJKPXUDMRJTN-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-fluoro-3H-isoindol-1-one?
The IUPAC name of 2-cyclohexyl-5-fluoro-3H-isoindol-1-one (CID 135058491) is 2-cyclohexyl-5-fluoro-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclohexyl-5-fluoro-3H-isoindol-1-one?
The canonical SMILES for 2-cyclohexyl-5-fluoro-3H-isoindol-1-one is O=C1c2ccc(F)cc2CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-fluoro-3H-isoindol-1-one?
The InChIKey is WVCJKPXUDMRJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-6-7-13-10(8-11)9-16(14(13)17)12-4-2-1-3-5-12/h6-8,12H,1-5,9H2.
What are the key properties of 2-cyclohexyl-5-fluoro-3H-isoindol-1-one?
2-cyclohexyl-5-fluoro-3H-isoindol-1-one has a molecular weight of 233.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-fluoro-3H-isoindol-1-one is sourced from PubChem (CID 135058491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).