1-fluoro-16-(2-fluoroethoxy)hexadecane

C18H36F2O — CID 155014928

IUPAC1-fluoro-16-(2-fluoroethoxy)hexadecane
SMILESFCCCCCCCCCCCCCCCCOCCF
InChIInChI=1S/C18H36F2O/c19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-18-16-20/h1-18H2
InChIKeyDFOPOITVEZMHNI-UHFFFAOYSA-N
MW306.48 g/mol
LogP6.40
Rot. Bonds18

About 1-fluoro-16-(2-fluoroethoxy)hexadecane

1-fluoro-16-(2-fluoroethoxy)hexadecane (PubChem CID 155014928) has the molecular formula C18H36F2O and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-fluoro-16-(2-fluoroethoxy)hexadecane.

Molecular Properties

Compound Name1-fluoro-16-(2-fluoroethoxy)hexadecane
PubChem CID155014928
Molecular FormulaC18H36F2O
Molecular Weight306.48 g/mol
Exact Mass306.27
IUPAC Name1-fluoro-16-(2-fluoroethoxy)hexadecane
SMILESFCCCCCCCCCCCCCCCCOCCF
InChIInChI=1S/C18H36F2O/c19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-18-16-20/h1-18H2
InChIKeyDFOPOITVEZMHNI-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.48
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-fluoro-16-(2-fluoroethoxy)hexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-17-(2-fluoroethoxy)heptadecane
CID 155014984
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
ethane;1-fluoro-15-pentoxypentadecane
CID 145255757
bis(1-fluoro-3-(3-fluoropropoxy)propane);hydrate
CID 174856263
2-(12-fluorododecoxy)acetic acid
CID 21195352
(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene
CID 24749144
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-(2-fluoroethoxy)ethanol
CID 9763
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
1,9-difluorononane;hydrochloride
CID 174355742
3-(6-fluorohexoxymethyl)oxetane
CID 21452229
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-16-(2-fluoroethoxy)hexadecane?
The IUPAC name of 1-fluoro-16-(2-fluoroethoxy)hexadecane (CID 155014928) is 1-fluoro-16-(2-fluoroethoxy)hexadecane.
What is the SMILES notation for 1-fluoro-16-(2-fluoroethoxy)hexadecane?
The canonical SMILES for 1-fluoro-16-(2-fluoroethoxy)hexadecane is FCCCCCCCCCCCCCCCCOCCF.
What is the InChIKey of 1-fluoro-16-(2-fluoroethoxy)hexadecane?
The InChIKey is DFOPOITVEZMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2O/c19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-18-16-20/h1-18H2.
What are the key properties of 1-fluoro-16-(2-fluoroethoxy)hexadecane?
1-fluoro-16-(2-fluoroethoxy)hexadecane has a molecular weight of 306.48 g/mol, XLogP of 6.40, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-16-(2-fluoroethoxy)hexadecane is sourced from PubChem (CID 155014928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).