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

C10H8F3NO2 — CID 83860242

IUPAC7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESO=C(O)C1CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-5-6(9(15)16)4-14-8(5)7/h1-3,6,14H,4H2,(H,15,16)
InChIKeyKYKIAOXAWAURQK-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.30
Rot. Bonds1

About 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid

7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid (PubChem CID 83860242) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
PubChem CID83860242
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESO=C(O)C1CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-5-6(9(15)16)4-14-8(5)7/h1-3,6,14H,4H2,(H,15,16)
InChIKeyKYKIAOXAWAURQK-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860241
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
CID 155316157
3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986404
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 83672503
(3aR,9bS)-6-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
CID 11551052
1-amino-4-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115045511
5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid
CID 71756298
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82276220
methyl N-[(2S,4R)-2-ethyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate
CID 59188236
7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 83397186

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid (CID 83860242) is 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid is O=C(O)C1CNc2c1cccc2C(F)(F)F.
What is the InChIKey of 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid?
The InChIKey is KYKIAOXAWAURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-5-6(9(15)16)4-14-8(5)7/h1-3,6,14H,4H2,(H,15,16).
What are the key properties of 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid?
7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid has a molecular weight of 231.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 83860242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).