(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid

C11H10F3NO2 — CID 150003833

IUPAC(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid
SMILESO=C(O)N1CCC2=C1C=C/C(=C/C(F)(F)F)C2
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-7-1-2-9-8(5-7)3-4-15(9)10(16)17/h1-2,6H,3-5H2,(H,16,17)/b7-6-
InChIKeyDBVXXNOLANGPBC-SREVYHEPSA-N
MW245.20 g/mol
LogP3.07
Rot. Bonds

About (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid

(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid (PubChem CID 150003833) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid.

Molecular Properties

Compound Name(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid
PubChem CID150003833
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid
SMILESO=C(O)N1CCC2=C1C=C/C(=C/C(F)(F)F)C2
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-7-1-2-9-8(5-7)3-4-15(9)10(16)17/h1-2,6H,3-5H2,(H,16,17)/b7-6-
InChIKeyDBVXXNOLANGPBC-SREVYHEPSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid?
The IUPAC name of (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid (CID 150003833) is (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid.
What is the SMILES notation for (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid?
The canonical SMILES for (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid is O=C(O)N1CCC2=C1C=C/C(=C/C(F)(F)F)C2.
What is the InChIKey of (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid?
The InChIKey is DBVXXNOLANGPBC-SREVYHEPSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)6-7-1-2-9-8(5-7)3-4-15(9)10(16)17/h1-2,6H,3-5H2,(H,16,17)/b7-6-.
What are the key properties of (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid?
(5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2,2,2-trifluoroethylidene)-3,4-dihydro-2H-indole-1-carboxylic acid is sourced from PubChem (CID 150003833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).