4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one

C6H8F5NO — CID 54343595

IUPAC4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one
SMILESNC(CF)(CF)C(=O)CC(F)(F)F
InChIInChI=1S/C6H8F5NO/c7-2-5(12,3-8)4(13)1-6(9,10)11/h1-3,12H2
InChIKeyUARQKKPSVFURCW-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one

4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one (PubChem CID 54343595) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one.

Molecular Properties

Compound Name4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one
PubChem CID54343595
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one
SMILESNC(CF)(CF)C(=O)CC(F)(F)F
InChIInChI=1S/C6H8F5NO/c7-2-5(12,3-8)4(13)1-6(9,10)11/h1-3,12H2
InChIKeyUARQKKPSVFURCW-UHFFFAOYSA-N
XLogP1.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.14
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-tetrafluoro-4-(fluoromethyl)pentan-3-one?
The IUPAC name of 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one (CID 54343595) is 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one.
What is the SMILES notation for 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one?
The canonical SMILES for 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one is NC(CF)(CF)C(=O)CC(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one?
The InChIKey is UARQKKPSVFURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c7-2-5(12,3-8)4(13)1-6(9,10)11/h1-3,12H2.
What are the key properties of 4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one?
4-amino-1,1,1,5-tetrafluoro-4-(fluoromethyl)pentan-3-one has a molecular weight of 205.13 g/mol, XLogP of 1.14, 4 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-tetrafluoro-4-(fluoromethyl)pentan-3-one is sourced from PubChem (CID 54343595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).