5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one

C18H24FNO2 — CID 118186652

IUPAC5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one
SMILESCC(C)C1CCC(CN2Cc3cc(F)c(O)cc3C2=O)CC1
InChIInChI=1S/C18H24FNO2/c1-11(2)13-5-3-12(4-6-13)9-20-10-14-7-16(19)17(21)8-15(14)18(20)22/h7-8,11-13,21H,3-6,9-10H2,1-2H3
InChIKeySOZLCTLUKWSSNE-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.95
Rot. Bonds3

About 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one

5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one (PubChem CID 118186652) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one
PubChem CID118186652
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one
SMILESCC(C)C1CCC(CN2Cc3cc(F)c(O)cc3C2=O)CC1
InChIInChI=1S/C18H24FNO2/c1-11(2)13-5-3-12(4-6-13)9-20-10-14-7-16(19)17(21)8-15(14)18(20)22/h7-8,11-13,21H,3-6,9-10H2,1-2H3
InChIKeySOZLCTLUKWSSNE-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one (CID 118186652) is 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one is CC(C)C1CCC(CN2Cc3cc(F)c(O)cc3C2=O)CC1.
What is the InChIKey of 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one?
The InChIKey is SOZLCTLUKWSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-11(2)13-5-3-12(4-6-13)9-20-10-14-7-16(19)17(21)8-15(14)18(20)22/h7-8,11-13,21H,3-6,9-10H2,1-2H3.
What are the key properties of 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one?
5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one has a molecular weight of 305.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 118186652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).