2-(fluoromethyl)-3-hexadecoxypropan-1-ol

C20H41FO2 — CID 21299142

IUPAC2-(fluoromethyl)-3-hexadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOCC(CO)CF
InChIInChI=1S/C20H41FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-20(17-21)18-22/h20,22H,2-19H2,1H3
InChIKeyGIZOBDIQDCDFAI-UHFFFAOYSA-N
MW332.54 g/mol
LogP6.06
Rot. Bonds19

About 2-(fluoromethyl)-3-hexadecoxypropan-1-ol

2-(fluoromethyl)-3-hexadecoxypropan-1-ol (PubChem CID 21299142) has the molecular formula C20H41FO2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-hexadecoxypropan-1-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-3-hexadecoxypropan-1-ol
PubChem CID21299142
Molecular FormulaC20H41FO2
Molecular Weight332.54 g/mol
Exact Mass332.31
IUPAC Name2-(fluoromethyl)-3-hexadecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCCCOCC(CO)CF
InChIInChI=1S/C20H41FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-20(17-21)18-22/h20,22H,2-19H2,1H3
InChIKeyGIZOBDIQDCDFAI-UHFFFAOYSA-N
XLogP6.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 56.06
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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Related Compounds

2-(decoxymethyl)propane-1,3-diol
CID 138675067
(2R)-2-(hexadecoxymethyl)butan-1-ol
CID 134215286
2-(butoxymethyl)butan-1-ol
CID 20660357
1-(2-ethylbutoxy)decane
CID 22002893
2-(hexadecoxymethyl)henicos-4-yn-1-ol
CID 19764322
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
2-methyl-3-undecoxypropan-1-ol
CID 138675065
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
6-(heptoxymethyl)tridecane
CID 87840359
9-(tetradecoxymethyl)nonadecane
CID 142746550
7-(nonoxymethyl)pentadecane
CID 86224814

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-hexadecoxypropan-1-ol?
The IUPAC name of 2-(fluoromethyl)-3-hexadecoxypropan-1-ol (CID 21299142) is 2-(fluoromethyl)-3-hexadecoxypropan-1-ol.
What is the SMILES notation for 2-(fluoromethyl)-3-hexadecoxypropan-1-ol?
The canonical SMILES for 2-(fluoromethyl)-3-hexadecoxypropan-1-ol is CCCCCCCCCCCCCCCCOCC(CO)CF.
What is the InChIKey of 2-(fluoromethyl)-3-hexadecoxypropan-1-ol?
The InChIKey is GIZOBDIQDCDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-20(17-21)18-22/h20,22H,2-19H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-hexadecoxypropan-1-ol?
2-(fluoromethyl)-3-hexadecoxypropan-1-ol has a molecular weight of 332.54 g/mol, XLogP of 6.06, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-hexadecoxypropan-1-ol is sourced from PubChem (CID 21299142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).