5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine

C7H12F3N — CID 79190076

IUPAC5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine
SMILESC=C(C)C(CC(F)(F)F)NC
InChIInChI=1S/C7H12F3N/c1-5(2)6(11-3)4-7(8,9)10/h6,11H,1,4H2,2-3H3
InChIKeyBQDJRCZNBKKSHP-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds3

About 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine

5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine (PubChem CID 79190076) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine
PubChem CID79190076
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine
SMILESC=C(C)C(CC(F)(F)F)NC
InChIInChI=1S/C7H12F3N/c1-5(2)6(11-3)4-7(8,9)10/h6,11H,1,4H2,2-3H3
InChIKeyBQDJRCZNBKKSHP-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine?
The IUPAC name of 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine (CID 79190076) is 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine.
What is the SMILES notation for 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine?
The canonical SMILES for 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine is C=C(C)C(CC(F)(F)F)NC.
What is the InChIKey of 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine?
The InChIKey is BQDJRCZNBKKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(2)6(11-3)4-7(8,9)10/h6,11H,1,4H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine?
5,5,5-trifluoro-N,2-dimethylpent-1-en-3-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,2-dimethylpent-1-en-3-amine is sourced from PubChem (CID 79190076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).