acetic acid;5-amino-1,1,1-trifluoropentan-2-one

C7H12F3NO3 — CID 162310282

IUPACacetic acid;5-amino-1,1,1-trifluoropentan-2-one
SMILESCC(=O)O.NCCCC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO.C2H4O2/c6-5(7,8)4(10)2-1-3-9;1-2(3)4/h1-3,9H2;1H3,(H,3,4)
InChIKeyYJZKFBDVNCXKGZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.95
Rot. Bonds3

About acetic acid;5-amino-1,1,1-trifluoropentan-2-one

acetic acid;5-amino-1,1,1-trifluoropentan-2-one (PubChem CID 162310282) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is acetic acid;5-amino-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Nameacetic acid;5-amino-1,1,1-trifluoropentan-2-one
PubChem CID162310282
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Nameacetic acid;5-amino-1,1,1-trifluoropentan-2-one
SMILESCC(=O)O.NCCCC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO.C2H4O2/c6-5(7,8)4(10)2-1-3-9;1-2(3)4/h1-3,9H2;1H3,(H,3,4)
InChIKeyYJZKFBDVNCXKGZ-UHFFFAOYSA-N
XLogP0.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;5-amino-1,1,1-trifluoropentan-2-one?
The IUPAC name of acetic acid;5-amino-1,1,1-trifluoropentan-2-one (CID 162310282) is acetic acid;5-amino-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for acetic acid;5-amino-1,1,1-trifluoropentan-2-one?
The canonical SMILES for acetic acid;5-amino-1,1,1-trifluoropentan-2-one is CC(=O)O.NCCCC(=O)C(F)(F)F.
What is the InChIKey of acetic acid;5-amino-1,1,1-trifluoropentan-2-one?
The InChIKey is YJZKFBDVNCXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.C2H4O2/c6-5(7,8)4(10)2-1-3-9;1-2(3)4/h1-3,9H2;1H3,(H,3,4).
What are the key properties of acetic acid;5-amino-1,1,1-trifluoropentan-2-one?
acetic acid;5-amino-1,1,1-trifluoropentan-2-one has a molecular weight of 215.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-amino-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 162310282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).