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

C7H12F3NO — CID 103215666

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)F)NC
InChIInChI=1S/C7H12F3NO/c1-3-6(11-2)4-12-5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyILQPTENNTOTWTM-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.34
Rot. Bonds5

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

N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (PubChem CID 103215666) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
PubChem CID103215666
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=CC(COCC(F)(F)F)NC
InChIInChI=1S/C7H12F3NO/c1-3-6(11-2)4-12-5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyILQPTENNTOTWTM-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 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 ≤ 51.34
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

N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 61492468
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-en-1-amine
CID 82008838
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215725
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215733
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475292
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103475411

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (CID 103215666) is N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is C=CC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The InChIKey is ILQPTENNTOTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-6(11-2)4-12-5-7(8,9)10/h3,6,11H,1,4-5H2,2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine has a molecular weight of 183.17 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is sourced from PubChem (CID 103215666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).