13-aminotridecyl hypofluorite

C13H28FNO — CID 167165722

IUPAC13-aminotridecyl hypofluorite
SMILESNCCCCCCCCCCCCCOF
InChIInChI=1S/C13H28FNO/c14-16-13-11-9-7-5-3-1-2-4-6-8-10-12-15/h1-13,15H2
InChIKeySAKCGCTZOZYHGT-UHFFFAOYSA-N
MW233.37 g/mol
LogP4.14
Rot. Bonds13

About 13-aminotridecyl hypofluorite

13-aminotridecyl hypofluorite (PubChem CID 167165722) has the molecular formula C13H28FNO and a molecular weight of 233.37 g/mol. Its IUPAC name is 13-aminotridecyl hypofluorite.

Molecular Properties

Compound Name13-aminotridecyl hypofluorite
PubChem CID167165722
Molecular FormulaC13H28FNO
Molecular Weight233.37 g/mol
Exact Mass233.22
IUPAC Name13-aminotridecyl hypofluorite
SMILESNCCCCCCCCCCCCCOF
InChIInChI=1S/C13H28FNO/c14-16-13-11-9-7-5-3-1-2-4-6-8-10-12-15/h1-13,15H2
InChIKeySAKCGCTZOZYHGT-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 54.14
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 13-aminotridecyl hypofluorite?
The IUPAC name of 13-aminotridecyl hypofluorite (CID 167165722) is 13-aminotridecyl hypofluorite.
What is the SMILES notation for 13-aminotridecyl hypofluorite?
The canonical SMILES for 13-aminotridecyl hypofluorite is NCCCCCCCCCCCCCOF.
What is the InChIKey of 13-aminotridecyl hypofluorite?
The InChIKey is SAKCGCTZOZYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO/c14-16-13-11-9-7-5-3-1-2-4-6-8-10-12-15/h1-13,15H2.
What are the key properties of 13-aminotridecyl hypofluorite?
13-aminotridecyl hypofluorite has a molecular weight of 233.37 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-aminotridecyl hypofluorite is sourced from PubChem (CID 167165722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).