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

C15H30F3NO — CID 103148065

IUPAC1-(2,2,2-trifluoroethoxy)tridecan-3-amine
SMILESCCCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-2-3-4-5-6-7-8-9-10-14(19)11-12-20-13-15(16,17)18/h14H,2-13,19H2,1H3
InChIKeyYTGPWVSKEUWWFL-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.81
Rot. Bonds13

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

1-(2,2,2-trifluoroethoxy)tridecan-3-amine (PubChem CID 103148065) has the molecular formula C15H30F3NO and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)tridecan-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)tridecan-3-amine
PubChem CID103148065
Molecular FormulaC15H30F3NO
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name1-(2,2,2-trifluoroethoxy)tridecan-3-amine
SMILESCCCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C15H30F3NO/c1-2-3-4-5-6-7-8-9-10-14(19)11-12-20-13-15(16,17)18/h14H,2-13,19H2,1H3
InChIKeyYTGPWVSKEUWWFL-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.81
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-(2,2,2-trifluoroethoxy)tridecan-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)tridecan-3-amine (CID 103148065) is 1-(2,2,2-trifluoroethoxy)tridecan-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)tridecan-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)tridecan-3-amine is CCCCCCCCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)tridecan-3-amine?
The InChIKey is YTGPWVSKEUWWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-2-3-4-5-6-7-8-9-10-14(19)11-12-20-13-15(16,17)18/h14H,2-13,19H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)tridecan-3-amine?
1-(2,2,2-trifluoroethoxy)tridecan-3-amine has a molecular weight of 297.41 g/mol, XLogP of 4.81, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)tridecan-3-amine is sourced from PubChem (CID 103148065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).