N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine

C8H14F3N — CID 121208253

IUPACN-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine
SMILESC=CCC(CNC)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-3-4-7(6-12-2)5-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyYSIYDUKZFFBLIS-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine

N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine (PubChem CID 121208253) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine
PubChem CID121208253
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine
SMILESC=CCC(CNC)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-3-4-7(6-12-2)5-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyYSIYDUKZFFBLIS-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.35
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 N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine (CID 121208253) is N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine is C=CCC(CNC)CC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine?
The InChIKey is YSIYDUKZFFBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-3-4-7(6-12-2)5-8(9,10)11/h3,7,12H,1,4-6H2,2H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine?
N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethyl)pent-4-en-1-amine is sourced from PubChem (CID 121208253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).