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

C7H12F3NO — CID 103215729

IUPAC3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(N)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(2)6(11)3-12-4-7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyRJBGQGJHJZSSDA-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.47
Rot. Bonds4

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

3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (PubChem CID 103215729) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
PubChem CID103215729
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(N)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(2)6(11)3-12-4-7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyRJBGQGJHJZSSDA-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215714
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215721
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215733
[3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine
CID 103217617
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474867
4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103474998
N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103475414
1-Methoxy-3-(trifluoromethyl)but-3-en-2-amine
CID 130564804
1-Methoxy-3-methylbut-3-en-2-amine
CID 79177933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (CID 103215729) is 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is C=C(C)C(N)COCC(F)(F)F.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The InChIKey is RJBGQGJHJZSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(2)6(11)3-12-4-7(8,9)10/h6H,1,3-4,11H2,2H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine has a molecular weight of 183.17 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is sourced from PubChem (CID 103215729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).