1-(2,2-difluoroethoxy)tridecan-3-amine

C15H31F2NO — CID 103148946

IUPAC1-(2,2-difluoroethoxy)tridecan-3-amine
SMILESCCCCCCCCCCC(N)CCOCC(F)F
InChIInChI=1S/C15H31F2NO/c1-2-3-4-5-6-7-8-9-10-14(18)11-12-19-13-15(16)17/h14-15H,2-13,18H2,1H3
InChIKeyJKRJWLRKYIDMTL-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.52
Rot. Bonds14

About 1-(2,2-difluoroethoxy)tridecan-3-amine

1-(2,2-difluoroethoxy)tridecan-3-amine (PubChem CID 103148946) has the molecular formula C15H31F2NO and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)tridecan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)tridecan-3-amine
PubChem CID103148946
Molecular FormulaC15H31F2NO
Molecular Weight279.41 g/mol
Exact Mass279.24
IUPAC Name1-(2,2-difluoroethoxy)tridecan-3-amine
SMILESCCCCCCCCCCC(N)CCOCC(F)F
InChIInChI=1S/C15H31F2NO/c1-2-3-4-5-6-7-8-9-10-14(18)11-12-19-13-15(16)17/h14-15H,2-13,18H2,1H3
InChIKeyJKRJWLRKYIDMTL-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.52
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)tridecan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)tridecan-3-amine (CID 103148946) is 1-(2,2-difluoroethoxy)tridecan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)tridecan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)tridecan-3-amine is CCCCCCCCCCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)tridecan-3-amine?
The InChIKey is JKRJWLRKYIDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F2NO/c1-2-3-4-5-6-7-8-9-10-14(18)11-12-19-13-15(16)17/h14-15H,2-13,18H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)tridecan-3-amine?
1-(2,2-difluoroethoxy)tridecan-3-amine has a molecular weight of 279.41 g/mol, XLogP of 4.52, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)tridecan-3-amine is sourced from PubChem (CID 103148946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).