2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C14H14F3NO3 — CID 78989699

IUPAC2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)8-18(7-12(19)20)13(21)11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,19,20)
InChIKeyUSMIMQDXSRTGPQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.26
Rot. Bonds4

About 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78989699) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78989699
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)8-18(7-12(19)20)13(21)11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,19,20)
InChIKeyUSMIMQDXSRTGPQ-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 78989699) is 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is USMIMQDXSRTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)8-18(7-12(19)20)13(21)11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,19,20).
What are the key properties of 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 301.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78989699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).