(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile

C12H9FN2O2 — CID 164671505

IUPAC(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile
SMILESC[C@](F)(C#N)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H9FN2O2/c1-12(13,6-14)7-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,7H2,1H3/t12-/m0/s1
InChIKeyRCSOXTZQSIAOIQ-LBPRGKRZSA-N
MW232.21 g/mol
LogP1.53
Rot. Bonds2

About (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile

(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile (PubChem CID 164671505) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile
PubChem CID164671505
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile
SMILESC[C@](F)(C#N)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H9FN2O2/c1-12(13,6-14)7-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,7H2,1H3/t12-/m0/s1
InChIKeyRCSOXTZQSIAOIQ-LBPRGKRZSA-N
XLogP1.53
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
Phosmet oxon
CID 77323
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile?
The IUPAC name of (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile (CID 164671505) is (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile is C[C@](F)(C#N)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile?
The InChIKey is RCSOXTZQSIAOIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-12(13,6-14)7-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,7H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile?
(2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile has a molecular weight of 232.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-2-methylpropanenitrile is sourced from PubChem (CID 164671505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).