1-(fluoromethoxy)dodecane

C13H27FO — CID 154178379

IUPAC1-(fluoromethoxy)dodecane
SMILESCCCCCCCCCCCCOCF
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-13H2,1H3
InChIKeyDOABUWUKQMZNRY-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.85
Rot. Bonds12

About 1-(fluoromethoxy)dodecane

1-(fluoromethoxy)dodecane (PubChem CID 154178379) has the molecular formula C13H27FO and a molecular weight of 218.36 g/mol. Its IUPAC name is 1-(fluoromethoxy)dodecane.

Molecular Properties

Compound Name1-(fluoromethoxy)dodecane
PubChem CID154178379
Molecular FormulaC13H27FO
Molecular Weight218.36 g/mol
Exact Mass218.20
IUPAC Name1-(fluoromethoxy)dodecane
SMILESCCCCCCCCCCCCOCF
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-13H2,1H3
InChIKeyDOABUWUKQMZNRY-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)dodecane?
The IUPAC name of 1-(fluoromethoxy)dodecane (CID 154178379) is 1-(fluoromethoxy)dodecane.
What is the SMILES notation for 1-(fluoromethoxy)dodecane?
The canonical SMILES for 1-(fluoromethoxy)dodecane is CCCCCCCCCCCCOCF.
What is the InChIKey of 1-(fluoromethoxy)dodecane?
The InChIKey is DOABUWUKQMZNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-13H2,1H3.
What are the key properties of 1-(fluoromethoxy)dodecane?
1-(fluoromethoxy)dodecane has a molecular weight of 218.36 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)dodecane is sourced from PubChem (CID 154178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).