N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine

C7H10F3N — CID 172629678

IUPACN-ethenyl-3-(trifluoromethyl)but-3-en-1-amine
SMILESC=CNCCC(=C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-11-5-4-6(2)7(8,9)10/h3,11H,1-2,4-5H2
InChIKeyNJNPSVBXQNIWSH-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.23
Rot. Bonds4

About N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine

N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine (PubChem CID 172629678) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-(trifluoromethyl)but-3-en-1-amine
PubChem CID172629678
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-ethenyl-3-(trifluoromethyl)but-3-en-1-amine
SMILESC=CNCCC(=C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-11-5-4-6(2)7(8,9)10/h3,11H,1-2,4-5H2
InChIKeyNJNPSVBXQNIWSH-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.23
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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Related Compounds

3-(Trifluoromethyl)-2-pyrroline
CID 155818181
3-(Trifluoromethyl)-2,3-dihydro-1h-pyrrole
CID 155818182
2,2-Di-fluorodihydropyrrole
CID 129739332
4-(fluoromethyl)-2,3-dihydro-1H-pyrrole
CID 89014784
(E)-N-ethyl-2-(trifluoromethyl)but-1-en-1-amine
CID 141874247
(Z)-N-(2,2-difluoropropyl)but-1-en-1-amine
CID 157848159
N-[(Z)-but-1-enyl]-2,2-difluorobutan-1-amine
CID 157848163
(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
CID 170286662
3-methyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
CID 114471990
N-(2,2-difluoroethyl)-3-methylbut-3-en-1-amine
CID 114472461
3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 146769063
2,3-dihydro-1H-pyrrole;fluoroform
CID 157295690

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine?
The IUPAC name of N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine (CID 172629678) is N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine?
The canonical SMILES for N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine is C=CNCCC(=C)C(F)(F)F.
What is the InChIKey of N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine?
The InChIKey is NJNPSVBXQNIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-11-5-4-6(2)7(8,9)10/h3,11H,1-2,4-5H2.
What are the key properties of N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine?
N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine is sourced from PubChem (CID 172629678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).