2-fluoro-3-hexadecoxypropan-1-ol

C19H39FO2 — CID 71372915

IUPAC2-fluoro-3-hexadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOCC(F)CO
InChIInChI=1S/C19H39FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(20)17-21/h19,21H,2-18H2,1H3
InChIKeyNKHTZZLUMFLDMM-UHFFFAOYSA-N
MW318.52 g/mol
LogP5.81
Rot. Bonds18

About 2-fluoro-3-hexadecoxypropan-1-ol

2-fluoro-3-hexadecoxypropan-1-ol (PubChem CID 71372915) has the molecular formula C19H39FO2 and a molecular weight of 318.52 g/mol. Its IUPAC name is 2-fluoro-3-hexadecoxypropan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-hexadecoxypropan-1-ol
PubChem CID71372915
Molecular FormulaC19H39FO2
Molecular Weight318.52 g/mol
Exact Mass318.29
IUPAC Name2-fluoro-3-hexadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOCC(F)CO
InChIInChI=1S/C19H39FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(20)17-21/h19,21H,2-18H2,1H3
InChIKeyNKHTZZLUMFLDMM-UHFFFAOYSA-N
XLogP5.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.52
LogP ≤ 55.81
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 2-fluoro-3-hexadecoxypropan-1-ol?
The IUPAC name of 2-fluoro-3-hexadecoxypropan-1-ol (CID 71372915) is 2-fluoro-3-hexadecoxypropan-1-ol.
What is the SMILES notation for 2-fluoro-3-hexadecoxypropan-1-ol?
The canonical SMILES for 2-fluoro-3-hexadecoxypropan-1-ol is CCCCCCCCCCCCCCCCOCC(F)CO.
What is the InChIKey of 2-fluoro-3-hexadecoxypropan-1-ol?
The InChIKey is NKHTZZLUMFLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(20)17-21/h19,21H,2-18H2,1H3.
What are the key properties of 2-fluoro-3-hexadecoxypropan-1-ol?
2-fluoro-3-hexadecoxypropan-1-ol has a molecular weight of 318.52 g/mol, XLogP of 5.81, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hexadecoxypropan-1-ol is sourced from PubChem (CID 71372915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).