2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3NO3 — CID 79266351

IUPAC2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(6-9(15)16)8-2-1-4-17-5-3-8/h8H,1-7H2,(H,15,16)
InChIKeyAHPMXALLFXFWGM-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds4

About 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266351) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266351
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14(6-9(15)16)8-2-1-4-17-5-3-8/h8H,1-7H2,(H,15,16)
InChIKeyAHPMXALLFXFWGM-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266351) is 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCCOCC1.
What is the InChIKey of 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AHPMXALLFXFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-14(6-9(15)16)8-2-1-4-17-5-3-8/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).