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

C7H12F3NO — CID 103214751

IUPAC1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(N)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-6(11)4-12-5-7(8,9)10/h2,6H,1,3-5,11H2
InChIKeyTVMGULWPBWHRFO-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.47
Rot. Bonds5

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

1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (PubChem CID 103214751) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
PubChem CID103214751
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(N)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-6(11)4-12-5-7(8,9)10/h2,6H,1,3-5,11H2
InChIKeyTVMGULWPBWHRFO-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxy-5,5,5-trifluoropent-1-en-3-amine
CID 117825754
2-(1,1-Difluorobut-3-enoxy)ethanamine
CID 166928109
1-(2,2,2-Trifluoroethoxy)hex-5-en-3-amine
CID 103147964
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-amine
CID 103215440
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-ylhydrazine
CID 103217312
1-(2,2,3,3-Tetrafluoropropoxy)pent-4-en-2-amine
CID 103474725
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-amine
CID 103474862

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (CID 103214751) is 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is C=CCC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The InChIKey is TVMGULWPBWHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-6(11)4-12-5-7(8,9)10/h2,6H,1,3-5,11H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine has a molecular weight of 183.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is sourced from PubChem (CID 103214751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).