3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine

C9H17F2NO — CID 165462761

IUPAC3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine
SMILESC=CCCOCC(F)(F)CNCC
InChIInChI=1S/C9H17F2NO/c1-3-5-6-13-8-9(10,11)7-12-4-2/h3,12H,1,4-8H2,2H3
InChIKeyAVDBXEXRQBRWQM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds8

About 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine

3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine (PubChem CID 165462761) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine
PubChem CID165462761
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine
SMILESC=CCCOCC(F)(F)CNCC
InChIInChI=1S/C9H17F2NO/c1-3-5-6-13-8-9(10,11)7-12-4-2/h3,12H,1,4-8H2,2H3
InChIKeyAVDBXEXRQBRWQM-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.82
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-N-ethyl-2,2-difluoropropan-1-amine?
The IUPAC name of 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine (CID 165462761) is 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine is C=CCCOCC(F)(F)CNCC.
What is the InChIKey of 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine?
The InChIKey is AVDBXEXRQBRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-5-6-13-8-9(10,11)7-12-4-2/h3,12H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine?
3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-N-ethyl-2,2-difluoropropan-1-amine is sourced from PubChem (CID 165462761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).