5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine

C7H12F3N — CID 79599341

IUPAC5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(7(8,9)10)4-3-5-11-2/h4,11H,3,5H2,1-2H3
InChIKeySKNCLRBHYAJGPC-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds3

About 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine

5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine (PubChem CID 79599341) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
PubChem CID79599341
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
SMILESCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(7(8,9)10)4-3-5-11-2/h4,11H,3,5H2,1-2H3
InChIKeySKNCLRBHYAJGPC-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.10
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 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine (CID 79599341) is 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine is CNCCC=C(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine?
The InChIKey is SKNCLRBHYAJGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(7(8,9)10)4-3-5-11-2/h4,11H,3,5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine?
5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 79599341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).