3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine

C8H15F2NO — CID 165466474

IUPAC3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine
SMILESC=CCCOCC(F)(F)CNC
InChIInChI=1S/C8H15F2NO/c1-3-4-5-12-7-8(9,10)6-11-2/h3,11H,1,4-7H2,2H3
InChIKeyAAMHUAQEKXCSQF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.43
Rot. Bonds7

About 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine

3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 165466474) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine
PubChem CID165466474
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine
SMILESC=CCCOCC(F)(F)CNC
InChIInChI=1S/C8H15F2NO/c1-3-4-5-12-7-8(9,10)6-11-2/h3,11H,1,4-7H2,2H3
InChIKeyAAMHUAQEKXCSQF-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine (CID 165466474) is 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine is C=CCCOCC(F)(F)CNC.
What is the InChIKey of 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is AAMHUAQEKXCSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-4-5-12-7-8(9,10)6-11-2/h3,11H,1,4-7H2,2H3.
What are the key properties of 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine?
3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165466474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).