(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate

C15H14FNO4 — CID 162341521

IUPAC(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CCC(F)CC1
InChIInChI=1S/C15H14FNO4/c16-10-7-5-9(6-8-10)15(20)21-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,9-10H,5-8H2
InChIKeyPFKOORUBSITROQ-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.27
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate

(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate (PubChem CID 162341521) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate
PubChem CID162341521
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CCC(F)CC1
InChIInChI=1S/C15H14FNO4/c16-10-7-5-9(6-8-10)15(20)21-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,9-10H,5-8H2
InChIKeyPFKOORUBSITROQ-UHFFFAOYSA-N
XLogP2.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
CID 162341549
3-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl cyclopentane-1,3-dicarboxylate
CID 162341751
(1,3-dioxoisoindol-2-yl) 3,3-difluorocyclobutane-1-carboxylate;ethane
CID 177047488
(1,3-dioxoisoindol-2-yl) 2,6-dimethyloxane-4-carboxylate
CID 171104193
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
(1,3-dioxoisoindol-2-yl) adamantane-2-carboxylate
CID 148996664
2-O-(1,3-dioxoisoindol-2-yl) 5-O-methyl (2S,5R)-oxolane-2,5-dicarboxylate
CID 178202360
cyclohexanamine;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;3-phenyl-3-(trifluoromethyl)diazirine
CID 167579939
3-(1,3-dioxoisoindol-2-yl)oxycarbonylmorpholine-4-carboxylic acid
CID 172771567
cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 178195158
1-(1,3-dioxoisoindol-2-yl)oxycarbonylpiperidine-2-carboxylic acid
CID 175785557

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate (CID 162341521) is (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate is O=C(ON1C(=O)c2ccccc2C1=O)C1CCC(F)CC1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate?
The InChIKey is PFKOORUBSITROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c16-10-7-5-9(6-8-10)15(20)21-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,9-10H,5-8H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate?
(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 162341521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).