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

C8H14F3NO — CID 103215714

IUPAC4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=C(C)CC(N)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3
InChIKeyCLGTUAVSOXFIFE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds5

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

4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (PubChem CID 103215714) 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-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
PubChem CID103215714
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=C(C)CC(N)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3
InChIKeyCLGTUAVSOXFIFE-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148016
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-amine
CID 103148886
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-amine
CID 103215440
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215713
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215717
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215719
3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215729
4-Methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215737
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216261
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-yl]hydrazine
CID 103217613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (CID 103215714) is 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is C=C(C)CC(N)COCC(F)(F)F.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The InChIKey is CLGTUAVSOXFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)3-7(12)4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 5 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-4-en-2-amine is sourced from PubChem (CID 103215714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).