[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate

C15H15FN2O4 — CID 175052118

IUPAC[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](F)C1
InChIInChI=1S/C15H15FN2O4/c16-11-7-8(22-15(17)21)5-6-12(11)18-13(19)9-3-1-2-4-10(9)14(18)20/h1-4,8,11-12H,5-7H2,(H2,17,21)/t8-,11+,12-/m1/s1
InChIKeyGGABPUSQQIBORH-JFUSQASVSA-N
MW306.29 g/mol
LogP1.64
Rot. Bonds2

About [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate

[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate (PubChem CID 175052118) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate
PubChem CID175052118
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](F)C1
InChIInChI=1S/C15H15FN2O4/c16-11-7-8(22-15(17)21)5-6-12(11)18-13(19)9-3-1-2-4-10(9)14(18)20/h1-4,8,11-12H,5-7H2,(H2,17,21)/t8-,11+,12-/m1/s1
InChIKeyGGABPUSQQIBORH-JFUSQASVSA-N
XLogP1.64
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate?
The IUPAC name of [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate (CID 175052118) is [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate.
What is the SMILES notation for [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate?
The canonical SMILES for [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate is NC(=O)O[C@@H]1CC[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](F)C1.
What is the InChIKey of [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate?
The InChIKey is GGABPUSQQIBORH-JFUSQASVSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-11-7-8(22-15(17)21)5-6-12(11)18-13(19)9-3-1-2-4-10(9)14(18)20/h1-4,8,11-12H,5-7H2,(H2,17,21)/t8-,11+,12-/m1/s1.
What are the key properties of [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate?
[(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate has a molecular weight of 306.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4R)-4-(1,3-dioxoisoindol-2-yl)-3-fluorocyclohexyl] carbamate is sourced from PubChem (CID 175052118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).