1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid

C11H10F3NO2 — CID 115045512

IUPAC1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNC1c2ccc(C(F)(F)F)cc2CC1C(=O)O
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-1-2-7-5(3-6)4-8(9(7)15)10(16)17/h1-3,8-9H,4,15H2,(H,16,17)
InChIKeyCODHTPCDPYAZMX-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.96
Rot. Bonds1

About 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid

1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 115045512) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID115045512
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNC1c2ccc(C(F)(F)F)cc2CC1C(=O)O
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-1-2-7-5(3-6)4-8(9(7)15)10(16)17/h1-3,8-9H,4,15H2,(H,16,17)
InChIKeyCODHTPCDPYAZMX-UHFFFAOYSA-N
XLogP1.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
1-amino-4-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115045511
(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
CID 124565703
(3S)-3-amino-1-hydroxy-6-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253721
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
4-amino-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-thiazole-5-carboxylic acid
CID 23724850
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
7-(trifluoromethyl)-3,5-dihydro-4,1-benzothiazepine-3-carboxylic acid
CID 57323668

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid (CID 115045512) is 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid is NC1c2ccc(C(F)(F)F)cc2CC1C(=O)O.
What is the InChIKey of 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is CODHTPCDPYAZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)6-1-2-7-5(3-6)4-8(9(7)15)10(16)17/h1-3,8-9H,4,15H2,(H,16,17).
What are the key properties of 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid?
1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 115045512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).