2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid

C7H9F6NO2 — CID 86001851

IUPAC2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid
SMILESNC(C(=O)O)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H9F6NO2/c8-6(9,10)1-3(2-7(11,12)13)4(14)5(15)16/h3-4H,1-2,14H2,(H,15,16)
InChIKeyTUQSIRNSABMHLD-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid

2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid (PubChem CID 86001851) has the molecular formula C7H9F6NO2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid
PubChem CID86001851
Molecular FormulaC7H9F6NO2
Molecular Weight253.14 g/mol
Exact Mass253.05
IUPAC Name2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid
SMILESNC(C(=O)O)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H9F6NO2/c8-6(9,10)1-3(2-7(11,12)13)4(14)5(15)16/h3-4H,1-2,14H2,(H,15,16)
InChIKeyTUQSIRNSABMHLD-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid?
The IUPAC name of 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid (CID 86001851) is 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid.
What is the SMILES notation for 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid?
The canonical SMILES for 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid is NC(C(=O)O)C(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid?
The InChIKey is TUQSIRNSABMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO2/c8-6(9,10)1-3(2-7(11,12)13)4(14)5(15)16/h3-4H,1-2,14H2,(H,15,16).
What are the key properties of 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid?
2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid has a molecular weight of 253.14 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoic acid is sourced from PubChem (CID 86001851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).