1-amino-5,5,5-trifluoropent-1-en-3-one

C5H6F3NO — CID 152778053

IUPAC1-amino-5,5,5-trifluoropent-1-en-3-one
SMILESNC=CC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2
InChIKeyIAPHALVOYNQNCU-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds2

About 1-amino-5,5,5-trifluoropent-1-en-3-one

1-amino-5,5,5-trifluoropent-1-en-3-one (PubChem CID 152778053) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropent-1-en-3-one.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropent-1-en-3-one
PubChem CID152778053
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1-amino-5,5,5-trifluoropent-1-en-3-one
SMILESNC=CC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2
InChIKeyIAPHALVOYNQNCU-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropent-1-en-3-one?
The IUPAC name of 1-amino-5,5,5-trifluoropent-1-en-3-one (CID 152778053) is 1-amino-5,5,5-trifluoropent-1-en-3-one.
What is the SMILES notation for 1-amino-5,5,5-trifluoropent-1-en-3-one?
The canonical SMILES for 1-amino-5,5,5-trifluoropent-1-en-3-one is NC=CC(=O)CC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropent-1-en-3-one?
The InChIKey is IAPHALVOYNQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2.
What are the key properties of 1-amino-5,5,5-trifluoropent-1-en-3-one?
1-amino-5,5,5-trifluoropent-1-en-3-one has a molecular weight of 153.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoropent-1-en-3-one is sourced from PubChem (CID 152778053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).