N-but-3-enyl-2,2,2-trifluoroacetamide

C6H8F3NO — CID 53404779

IUPACN-but-3-enyl-2,2,2-trifluoroacetamide
SMILESC=CCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyQGYQNVPALLKQJI-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds3

About N-but-3-enyl-2,2,2-trifluoroacetamide

N-but-3-enyl-2,2,2-trifluoroacetamide (PubChem CID 53404779) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-but-3-enyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-but-3-enyl-2,2,2-trifluoroacetamide
PubChem CID53404779
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-but-3-enyl-2,2,2-trifluoroacetamide
SMILESC=CCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyQGYQNVPALLKQJI-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-but-3-enyl-2,2,2-trifluoroacetamide (CID 53404779) is N-but-3-enyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-but-3-enyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-but-3-enyl-2,2,2-trifluoroacetamide is C=CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-but-3-enyl-2,2,2-trifluoroacetamide?
The InChIKey is QGYQNVPALLKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2H,1,3-4H2,(H,10,11).
What are the key properties of N-but-3-enyl-2,2,2-trifluoroacetamide?
N-but-3-enyl-2,2,2-trifluoroacetamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 53404779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).