1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine

C11H23F2NO — CID 103148892

IUPAC1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine
SMILESCC(C)(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-11(2,3)6-4-9(14)5-7-15-8-10(12)13/h9-10H,4-8,14H2,1-3H3
InChIKeyOXBXTVZFFUZROV-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.81
Rot. Bonds7

About 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine

1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine (PubChem CID 103148892) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine
PubChem CID103148892
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine
SMILESCC(C)(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-11(2,3)6-4-9(14)5-7-15-8-10(12)13/h9-10H,4-8,14H2,1-3H3
InChIKeyOXBXTVZFFUZROV-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine (CID 103148892) is 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine is CC(C)(C)CCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine?
The InChIKey is OXBXTVZFFUZROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-11(2,3)6-4-9(14)5-7-15-8-10(12)13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine?
1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine has a molecular weight of 223.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6,6-dimethylheptan-3-amine is sourced from PubChem (CID 103148892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).