1-(2,2,2-trifluoroethoxy)but-3-en-2-amine

C6H10F3NO — CID 103215662

IUPAC1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=CC(N)COCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-5(10)3-11-4-6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyLBEVGXVYETXDHF-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.08
Rot. Bonds4

About 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine

1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (PubChem CID 103215662) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
PubChem CID103215662
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=CC(N)COCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-5(10)3-11-4-6(7,8)9/h2,5H,1,3-4,10H2
InChIKeyLBEVGXVYETXDHF-UHFFFAOYSA-N
XLogP1.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.08
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

1-Methoxybut-3-en-2-amine
CID 65576187
2-(1,1-Difluorobut-3-enoxy)ethanamine
CID 166928109
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-amine
CID 103214751
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215666
3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215729
1-(2,2,2-Trifluoroethoxy)but-3-en-2-ylhydrazine
CID 103217597
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
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103475411

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (CID 103215662) is 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is C=CC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The InChIKey is LBEVGXVYETXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-5(10)3-11-4-6(7,8)9/h2,5H,1,3-4,10H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
1-(2,2,2-trifluoroethoxy)but-3-en-2-amine has a molecular weight of 169.15 g/mol, XLogP of 1.08, 4 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)but-3-en-2-amine is sourced from PubChem (CID 103215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).