1H-indol-2-yl 2,2,2-trichloroethyl carbonate

C11H8Cl3NO3 — CID 54455783

IUPAC1H-indol-2-yl 2,2,2-trichloroethyl carbonate
SMILESO=C(OCC(Cl)(Cl)Cl)Oc1cc2ccccc2[nH]1
InChIInChI=1S/C11H8Cl3NO3/c12-11(13,14)6-17-10(16)18-9-5-7-3-1-2-4-8(7)15-9/h1-5,15H,6H2
InChIKeyWYCACLZZHSALTN-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.05
Rot. Bonds2

About 1H-indol-2-yl 2,2,2-trichloroethyl carbonate

1H-indol-2-yl 2,2,2-trichloroethyl carbonate (PubChem CID 54455783) has the molecular formula C11H8Cl3NO3 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1H-indol-2-yl 2,2,2-trichloroethyl carbonate.

Molecular Properties

Compound Name1H-indol-2-yl 2,2,2-trichloroethyl carbonate
PubChem CID54455783
Molecular FormulaC11H8Cl3NO3
Molecular Weight308.55 g/mol
Exact Mass306.96
IUPAC Name1H-indol-2-yl 2,2,2-trichloroethyl carbonate
SMILESO=C(OCC(Cl)(Cl)Cl)Oc1cc2ccccc2[nH]1
InChIInChI=1S/C11H8Cl3NO3/c12-11(13,14)6-17-10(16)18-9-5-7-3-1-2-4-8(7)15-9/h1-5,15H,6H2
InChIKeyWYCACLZZHSALTN-UHFFFAOYSA-N
XLogP4.05
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-2-yl N-(2-acetamidoethyl)carbamate
CID 91346981
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
chloro 1H-indole-2-carboxylate
CID 68813525
1H-indol-2-yloxy(oxo)borane
CID 140520231
(7-hydroxy-1H-indol-2-yl) 2-methylpropyl carbonate
CID 70474454
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
1H-indol-2-ylmethyl 2-aminoacetate
CID 67228624
3-(1H-indol-2-yloxy)propane-1,2-diol
CID 23048023
carbamic acid;1H-indol-2-ol
CID 175329326
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
2-prop-2-ynoxy-1H-indole
CID 57088946

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl 2,2,2-trichloroethyl carbonate?
The IUPAC name of 1H-indol-2-yl 2,2,2-trichloroethyl carbonate (CID 54455783) is 1H-indol-2-yl 2,2,2-trichloroethyl carbonate.
What is the SMILES notation for 1H-indol-2-yl 2,2,2-trichloroethyl carbonate?
The canonical SMILES for 1H-indol-2-yl 2,2,2-trichloroethyl carbonate is O=C(OCC(Cl)(Cl)Cl)Oc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl 2,2,2-trichloroethyl carbonate?
The InChIKey is WYCACLZZHSALTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO3/c12-11(13,14)6-17-10(16)18-9-5-7-3-1-2-4-8(7)15-9/h1-5,15H,6H2.
What are the key properties of 1H-indol-2-yl 2,2,2-trichloroethyl carbonate?
1H-indol-2-yl 2,2,2-trichloroethyl carbonate has a molecular weight of 308.55 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl 2,2,2-trichloroethyl carbonate is sourced from PubChem (CID 54455783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).