1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine

C10H17F2NO — CID 103149295

IUPAC1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine
SMILESC#CCCC(CCOCC(F)F)NC
InChIInChI=1S/C10H17F2NO/c1-3-4-5-9(13-2)6-7-14-8-10(11)12/h1,9-10,13H,4-8H2,2H3
InChIKeyGYNSWPQMPBQXPY-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.66
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine

1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine (PubChem CID 103149295) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine
PubChem CID103149295
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine
SMILESC#CCCC(CCOCC(F)F)NC
InChIInChI=1S/C10H17F2NO/c1-3-4-5-9(13-2)6-7-14-8-10(11)12/h1,9-10,13H,4-8H2,2H3
InChIKeyGYNSWPQMPBQXPY-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.66
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-methylhept-6-yn-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine (CID 103149295) is 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine is C#CCCC(CCOCC(F)F)NC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine?
The InChIKey is GYNSWPQMPBQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-4-5-9(13-2)6-7-14-8-10(11)12/h1,9-10,13H,4-8H2,2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine?
1-(2,2-difluoroethoxy)-N-methylhept-6-yn-3-amine has a molecular weight of 205.25 g/mol, XLogP of 1.66, 8 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-methylhept-6-yn-3-amine is sourced from PubChem (CID 103149295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).