4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

C8H14F3NO — CID 103215721

IUPAC4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCC(C)=CC(N)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h3,7H,4-5,12H2,1-2H3
InChIKeyBUEDOUMWAVFJNZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds4

About 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (PubChem CID 103215721) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
PubChem CID103215721
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCC(C)=CC(N)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h3,7H,4-5,12H2,1-2H3
InChIKeyBUEDOUMWAVFJNZ-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (CID 103215721) is 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is CC(C)=CC(N)COCC(F)(F)F.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The InChIKey is BUEDOUMWAVFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h3,7H,4-5,12H2,1-2H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is sourced from PubChem (CID 103215721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).