4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid

C10H8F3NO2 — CID 117198099

IUPAC4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16/h1-3,8,14H,4H2,(H,15,16)
InChIKeyARCVXMOZUHAKBN-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.13
Rot. Bonds1

About 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid

4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 117198099) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID117198099
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16/h1-3,8,14H,4H2,(H,15,16)
InChIKeyARCVXMOZUHAKBN-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid (CID 117198099) is 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)C1Cc2c(cccc2C(F)(F)F)N1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is ARCVXMOZUHAKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16/h1-3,8,14H,4H2,(H,15,16).
What are the key properties of 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid?
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 231.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 117198099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).