2-amino-2-(16-fluorohexadecyl)propane-1,3-diol

C19H40FNO2 — CID 71608475

IUPAC2-amino-2-(16-fluorohexadecyl)propane-1,3-diol
SMILESNC(CO)(CO)CCCCCCCCCCCCCCCCF
InChIInChI=1S/C19H40FNO2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,21H2
InChIKeyNUYPIEWABARBAH-UHFFFAOYSA-N
MW333.53 g/mol
LogP4.49
Rot. Bonds18

About 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol

2-amino-2-(16-fluorohexadecyl)propane-1,3-diol (PubChem CID 71608475) has the molecular formula C19H40FNO2 and a molecular weight of 333.53 g/mol. Its IUPAC name is 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(16-fluorohexadecyl)propane-1,3-diol
PubChem CID71608475
Molecular FormulaC19H40FNO2
Molecular Weight333.53 g/mol
Exact Mass333.30
IUPAC Name2-amino-2-(16-fluorohexadecyl)propane-1,3-diol
SMILESNC(CO)(CO)CCCCCCCCCCCCCCCCF
InChIInChI=1S/C19H40FNO2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,21H2
InChIKeyNUYPIEWABARBAH-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol (CID 71608475) is 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol is NC(CO)(CO)CCCCCCCCCCCCCCCCF.
What is the InChIKey of 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol?
The InChIKey is NUYPIEWABARBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FNO2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(21,17-22)18-23/h22-23H,1-18,21H2.
What are the key properties of 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol?
2-amino-2-(16-fluorohexadecyl)propane-1,3-diol has a molecular weight of 333.53 g/mol, XLogP of 4.49, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(16-fluorohexadecyl)propane-1,3-diol is sourced from PubChem (CID 71608475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).