1-fluoro-2-methoxycyclododecane

C13H25FO — CID 85213313

IUPAC1-fluoro-2-methoxycyclododecane
SMILESCOC1CCCCCCCCCCC1F
InChIInChI=1S/C13H25FO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3
InChIKeyJZMJLXSOEPNZQA-UHFFFAOYSA-N
MW216.34 g/mol
LogP4.25
Rot. Bonds1

About 1-fluoro-2-methoxycyclododecane

1-fluoro-2-methoxycyclododecane (PubChem CID 85213313) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-fluoro-2-methoxycyclododecane.

Molecular Properties

Compound Name1-fluoro-2-methoxycyclododecane
PubChem CID85213313
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name1-fluoro-2-methoxycyclododecane
SMILESCOC1CCCCCCCCCCC1F
InChIInChI=1S/C13H25FO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3
InChIKeyJZMJLXSOEPNZQA-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxycyclododecane?
The IUPAC name of 1-fluoro-2-methoxycyclododecane (CID 85213313) is 1-fluoro-2-methoxycyclododecane.
What is the SMILES notation for 1-fluoro-2-methoxycyclododecane?
The canonical SMILES for 1-fluoro-2-methoxycyclododecane is COC1CCCCCCCCCCC1F.
What is the InChIKey of 1-fluoro-2-methoxycyclododecane?
The InChIKey is JZMJLXSOEPNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h12-13H,2-11H2,1H3.
What are the key properties of 1-fluoro-2-methoxycyclododecane?
1-fluoro-2-methoxycyclododecane has a molecular weight of 216.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxycyclododecane is sourced from PubChem (CID 85213313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).