hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C10H16F3NO3 — CID 539392

IUPAChexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCC(C)OC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-4-5-7(2)17-8(15)6-14-9(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyNZTRSCRFVOXRBI-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.79
Rot. Bonds6

About hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate

hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 539392) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namehexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID539392
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namehexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCC(C)OC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-4-5-7(2)17-8(15)6-14-9(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyNZTRSCRFVOXRBI-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 539392) is hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CCCCC(C)OC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is NZTRSCRFVOXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-4-5-7(2)17-8(15)6-14-9(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16).
What are the key properties of hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 539392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).