1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine

C13H25F2NO — CID 107009822

IUPAC1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)F)NC
InChIInChI=1S/C13H25F2NO/c1-3-4-5-6-7-8-12(16-2)9-10-17-11-13(14)15/h3,12-13,16H,1,4-11H2,2H3
InChIKeyRJLRTPUMWHXJSR-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.38
Rot. Bonds12

About 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine

1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine (PubChem CID 107009822) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine
PubChem CID107009822
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)F)NC
InChIInChI=1S/C13H25F2NO/c1-3-4-5-6-7-8-12(16-2)9-10-17-11-13(14)15/h3,12-13,16H,1,4-11H2,2H3
InChIKeyRJLRTPUMWHXJSR-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.38
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 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine (CID 107009822) is 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine is C=CCCCCCC(CCOCC(F)F)NC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine?
The InChIKey is RJLRTPUMWHXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-3-4-5-6-7-8-12(16-2)9-10-17-11-13(14)15/h3,12-13,16H,1,4-11H2,2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine?
1-(2,2-difluoroethoxy)-N-methyldec-9-en-3-amine has a molecular weight of 249.34 g/mol, XLogP of 3.38, 12 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-methyldec-9-en-3-amine is sourced from PubChem (CID 107009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).