cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane

C15H27FO — CID 10776579

IUPACcis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane
SMILESC=CCO[C@@H]1CCCCCCCCCC[C@@H]1F
InChIInChI=1S/C15H27FO/c1-2-13-17-15-12-10-8-6-4-3-5-7-9-11-14(15)16/h2,14-15H,1,3-13H2/t14-,15+/m0/s1
InChIKeyNWVHFZVROJUCKP-LSDHHAIUSA-N
MW242.38 g/mol
LogP4.81
Rot. Bonds3

About cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane

cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane (PubChem CID 10776579) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane.

Molecular Properties

Compound Namecis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane
PubChem CID10776579
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Namecis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane
SMILESC=CCO[C@@H]1CCCCCCCCCC[C@@H]1F
InChIInChI=1S/C15H27FO/c1-2-13-17-15-12-10-8-6-4-3-5-7-9-11-14(15)16/h2,14-15H,1,3-13H2/t14-,15+/m0/s1
InChIKeyNWVHFZVROJUCKP-LSDHHAIUSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane?
The IUPAC name of cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane (CID 10776579) is cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane.
What is the SMILES notation for cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane?
The canonical SMILES for cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane is C=CCO[C@@H]1CCCCCCCCCC[C@@H]1F.
What is the InChIKey of cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane?
The InChIKey is NWVHFZVROJUCKP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H27FO/c1-2-13-17-15-12-10-8-6-4-3-5-7-9-11-14(15)16/h2,14-15H,1,3-13H2/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane?
cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane has a molecular weight of 242.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane is sourced from PubChem (CID 10776579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).