5,5,5-trifluoropent-2-enamide

C5H6F3NO — CID 154272221

IUPAC5,5,5-trifluoropent-2-enamide
SMILESNC(=O)C=CCC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H2,9,10)
InChIKeyDJOOBPCQYKEQPY-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds2

About 5,5,5-trifluoropent-2-enamide

5,5,5-trifluoropent-2-enamide (PubChem CID 154272221) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 5,5,5-trifluoropent-2-enamide.

Molecular Properties

Compound Name5,5,5-trifluoropent-2-enamide
PubChem CID154272221
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name5,5,5-trifluoropent-2-enamide
SMILESNC(=O)C=CCC(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H2,9,10)
InChIKeyDJOOBPCQYKEQPY-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
(E)-4-(methylamino)but-2-enamide;2,2,2-trifluoroacetic acid
CID 170912285
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
CID 162510008
4-aminobut-2-enamide;hydrochloride
CID 171148089
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
bis[(E)-6,6,6-trifluorohex-3-enyl] oxalate
CID 162617388
(Z)-4,4,4-trifluorobut-1-en-1-amine
CID 142852189
(E)-4-bromobut-2-enamide;ethane
CID 145199796
acetamide;hepta-2,5-dienediamide
CID 174662620
4,4,4-trifluorobut-1-enylcarbamic acid
CID 173323463
7,7,7-trifluorohept-4-enoic acid
CID 154391646

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropent-2-enamide?
The IUPAC name of 5,5,5-trifluoropent-2-enamide (CID 154272221) is 5,5,5-trifluoropent-2-enamide.
What is the SMILES notation for 5,5,5-trifluoropent-2-enamide?
The canonical SMILES for 5,5,5-trifluoropent-2-enamide is NC(=O)C=CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropent-2-enamide?
The InChIKey is DJOOBPCQYKEQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(9)10/h1-2H,3H2,(H2,9,10).
What are the key properties of 5,5,5-trifluoropent-2-enamide?
5,5,5-trifluoropent-2-enamide has a molecular weight of 153.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-2-enamide is sourced from PubChem (CID 154272221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).