2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile

C10H7F3N2 — CID 130040104

IUPAC2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(C(F)(F)F)N2
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-4-7-3-6(5-14)1-2-8(7)15-9/h1-3,9,15H,4H2
InChIKeyDOSHXOWFXHBYNB-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.46
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile

2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile (PubChem CID 130040104) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile
PubChem CID130040104
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(C(F)(F)F)N2
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-4-7-3-6(5-14)1-2-8(7)15-9/h1-3,9,15H,4H2
InChIKeyDOSHXOWFXHBYNB-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile (CID 130040104) is 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile is N#Cc1ccc2c(c1)CC(C(F)(F)F)N2.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile?
The InChIKey is DOSHXOWFXHBYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)9-4-7-3-6(5-14)1-2-8(7)15-9/h1-3,9,15H,4H2.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile?
2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile has a molecular weight of 212.17 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carbonitrile is sourced from PubChem (CID 130040104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).