N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide

C11H17F3N2O — CID 10634409

IUPACN-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESC=CCN(CC=C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-7-16(8-4-2)9-5-6-15-10(17)11(12,13)14/h3-4H,1-2,5-9H2,(H,15,17)
InChIKeyDEGGAIWKJHJQTF-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.73
Rot. Bonds8

About N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 10634409) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID10634409
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESC=CCN(CC=C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-7-16(8-4-2)9-5-6-15-10(17)11(12,13)14/h3-4H,1-2,5-9H2,(H,15,17)
InChIKeyDEGGAIWKJHJQTF-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 10634409) is N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide is C=CCN(CC=C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is DEGGAIWKJHJQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-7-16(8-4-2)9-5-6-15-10(17)11(12,13)14/h3-4H,1-2,5-9H2,(H,15,17).
What are the key properties of N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 250.26 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(prop-2-enyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10634409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).