(E)-1-amino-5,5,5-trifluoropent-1-en-3-one

C5H6F3NO — CID 87486048

IUPAC(E)-1-amino-5,5,5-trifluoropent-1-en-3-one
SMILESN/C=C/C(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2/b2-1+
InChIKeyIAPHALVOYNQNCU-OWOJBTEDSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds2

About (E)-1-amino-5,5,5-trifluoropent-1-en-3-one

(E)-1-amino-5,5,5-trifluoropent-1-en-3-one (PubChem CID 87486048) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (E)-1-amino-5,5,5-trifluoropent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-amino-5,5,5-trifluoropent-1-en-3-one
PubChem CID87486048
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(E)-1-amino-5,5,5-trifluoropent-1-en-3-one
SMILESN/C=C/C(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2/b2-1+
InChIKeyIAPHALVOYNQNCU-OWOJBTEDSA-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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Related Compounds

4-Amino-1,1,1-trifluorobut-3-en-2-one
CID 5709092
(3E)-1,1,1-Trifluoro-4-(methylamino)but-3-EN-2-one
CID 2303875
3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
CID 2779442
1,1,1-Trifluoro-4-(methylamino)but-3-en-2-one
CID 4143957
(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one
CID 11116141
(Z)-1,1,1-trifluoro-4-(methylamino)but-3-en-2-one
CID 23245239
(E)-1-amino-5-fluoro-4,4-bis(fluoromethyl)pent-1-en-3-one
CID 22228495
3-(Trifluoromethyl)pyridin-4-OL
CID 22766085
1-Amino-5-fluoro-4,4-bis(fluoromethyl)pent-1-en-3-one
CID 73877057
(Z)-4-amino-1-fluorobut-3-en-2-one
CID 89164942
1-Amino-5,5,5-trifluoropent-1-en-3-one
CID 152778053
(Z)-1-amino-4,4,5,5,5-pentafluoropent-1-en-3-one
CID 156298797

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-5,5,5-trifluoropent-1-en-3-one?
The IUPAC name of (E)-1-amino-5,5,5-trifluoropent-1-en-3-one (CID 87486048) is (E)-1-amino-5,5,5-trifluoropent-1-en-3-one.
What is the SMILES notation for (E)-1-amino-5,5,5-trifluoropent-1-en-3-one?
The canonical SMILES for (E)-1-amino-5,5,5-trifluoropent-1-en-3-one is N/C=C/C(=O)CC(F)(F)F.
What is the InChIKey of (E)-1-amino-5,5,5-trifluoropent-1-en-3-one?
The InChIKey is IAPHALVOYNQNCU-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-4(10)1-2-9/h1-2H,3,9H2/b2-1+.
What are the key properties of (E)-1-amino-5,5,5-trifluoropent-1-en-3-one?
(E)-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 (E)-1-amino-5,5,5-trifluoropent-1-en-3-one is sourced from PubChem (CID 87486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).