1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine

C11H19F2NO — CID 103149343

IUPAC1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine
SMILESC#CCCCC(CCOCC(F)F)NC
InChIInChI=1S/C11H19F2NO/c1-3-4-5-6-10(14-2)7-8-15-9-11(12)13/h1,10-11,14H,4-9H2,2H3
InChIKeySCAYTEJQCQXFLF-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.05
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine

1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine (PubChem CID 103149343) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine
PubChem CID103149343
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine
SMILESC#CCCCC(CCOCC(F)F)NC
InChIInChI=1S/C11H19F2NO/c1-3-4-5-6-10(14-2)7-8-15-9-11(12)13/h1,10-11,14H,4-9H2,2H3
InChIKeySCAYTEJQCQXFLF-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine (CID 103149343) is 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine is C#CCCCC(CCOCC(F)F)NC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine?
The InChIKey is SCAYTEJQCQXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-4-5-6-10(14-2)7-8-15-9-11(12)13/h1,10-11,14H,4-9H2,2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine?
1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine has a molecular weight of 219.27 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine is sourced from PubChem (CID 103149343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).