4-amino-1,1,1,5,5,5-hexafluoropentan-2-one

C5H5F6NO — CID 163555520

IUPAC4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESNC(CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2H,1,12H2
InChIKeyFMRWDINKQYKMDW-UHFFFAOYSA-N
MW209.09 g/mol
LogP1.40
Rot. Bonds2

About 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one

4-amino-1,1,1,5,5,5-hexafluoropentan-2-one (PubChem CID 163555520) has the molecular formula C5H5F6NO and a molecular weight of 209.09 g/mol. Its IUPAC name is 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one.

Molecular Properties

Compound Name4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
PubChem CID163555520
Molecular FormulaC5H5F6NO
Molecular Weight209.09 g/mol
Exact Mass209.03
IUPAC Name4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESNC(CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2H,1,12H2
InChIKeyFMRWDINKQYKMDW-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one?
The IUPAC name of 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one (CID 163555520) is 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one.
What is the SMILES notation for 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one?
The canonical SMILES for 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one is NC(CC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one?
The InChIKey is FMRWDINKQYKMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2H,1,12H2.
What are the key properties of 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one?
4-amino-1,1,1,5,5,5-hexafluoropentan-2-one has a molecular weight of 209.09 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1,5,5,5-hexafluoropentan-2-one is sourced from PubChem (CID 163555520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).