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

C10H18F3NO — CID 103215735

IUPAC3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3NO/c1-4-5-14-9(8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyRXAJXOXFEMLNHE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds7

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

3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (PubChem CID 103215735) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
PubChem CID103215735
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3NO/c1-4-5-14-9(8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyRXAJXOXFEMLNHE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (CID 103215735) is 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is C=C(C)C(COCC(F)(F)F)NCCC.
What is the InChIKey of 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The InChIKey is RXAJXOXFEMLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-5-14-9(8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is sourced from PubChem (CID 103215735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).