4-fluoro-4-(methoxymethyl)hexadecan-1-amine

C18H38FNO — CID 103392446

IUPAC4-fluoro-4-(methoxymethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C18H38FNO/c1-3-4-5-6-7-8-9-10-11-12-14-18(19,17-21-2)15-13-16-20/h3-17,20H2,1-2H3
InChIKeyHLRDBOCWOPZBGP-UHFFFAOYSA-N
MW303.51 g/mol
LogP5.39
Rot. Bonds16

About 4-fluoro-4-(methoxymethyl)hexadecan-1-amine

4-fluoro-4-(methoxymethyl)hexadecan-1-amine (PubChem CID 103392446) has the molecular formula C18H38FNO and a molecular weight of 303.51 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)hexadecan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)hexadecan-1-amine
PubChem CID103392446
Molecular FormulaC18H38FNO
Molecular Weight303.51 g/mol
Exact Mass303.29
IUPAC Name4-fluoro-4-(methoxymethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C18H38FNO/c1-3-4-5-6-7-8-9-10-11-12-14-18(19,17-21-2)15-13-16-20/h3-17,20H2,1-2H3
InChIKeyHLRDBOCWOPZBGP-UHFFFAOYSA-N
XLogP5.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 55.39
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 4-fluoro-4-(methoxymethyl)hexadecan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)hexadecan-1-amine (CID 103392446) is 4-fluoro-4-(methoxymethyl)hexadecan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)hexadecan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)hexadecan-1-amine is CCCCCCCCCCCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)hexadecan-1-amine?
The InChIKey is HLRDBOCWOPZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38FNO/c1-3-4-5-6-7-8-9-10-11-12-14-18(19,17-21-2)15-13-16-20/h3-17,20H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)hexadecan-1-amine?
4-fluoro-4-(methoxymethyl)hexadecan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 5.39, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)hexadecan-1-amine is sourced from PubChem (CID 103392446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).