6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine

C10H21F2NO2 — CID 163279016

IUPAC6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine
SMILESCOCCOCCC(N)CCC(C)(F)F
InChIInChI=1S/C10H21F2NO2/c1-10(11,12)5-3-9(13)4-6-15-8-7-14-2/h9H,3-8,13H2,1-2H3
InChIKeyVWGUDUJPLKBWOB-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.80
Rot. Bonds9

About 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine

6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine (PubChem CID 163279016) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine.

Molecular Properties

Compound Name6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine
PubChem CID163279016
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC Name6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine
SMILESCOCCOCCC(N)CCC(C)(F)F
InChIInChI=1S/C10H21F2NO2/c1-10(11,12)5-3-9(13)4-6-15-8-7-14-2/h9H,3-8,13H2,1-2H3
InChIKeyVWGUDUJPLKBWOB-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine?
The IUPAC name of 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine (CID 163279016) is 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine.
What is the SMILES notation for 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine?
The canonical SMILES for 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine is COCCOCCC(N)CCC(C)(F)F.
What is the InChIKey of 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine?
The InChIKey is VWGUDUJPLKBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-10(11,12)5-3-9(13)4-6-15-8-7-14-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine?
6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine has a molecular weight of 225.28 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(2-methoxyethoxy)heptan-3-amine is sourced from PubChem (CID 163279016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).