2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid

C11H19F3N2O3 — CID 55009803

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-5-6-8(9(17)18)15-10(19)16(4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHJMMDHKHNTXKQG-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds7

About 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid

2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (PubChem CID 55009803) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
PubChem CID55009803
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-5-6-8(9(17)18)15-10(19)16(4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHJMMDHKHNTXKQG-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (CID 55009803) is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid is CCCCC(NC(=O)N(CC)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is HJMMDHKHNTXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-3-5-6-8(9(17)18)15-10(19)16(4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 55009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).