fluoromethylidenecyclododecane

C13H23F — CID 101097548

IUPACfluoromethylidenecyclododecane
SMILESFC=C1CCCCCCCCCCC1
InChIInChI=1S/C13H23F/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2
InChIKeyKXPNIIODYLAUCQ-UHFFFAOYSA-N
MW198.32 g/mol
LogP5.14
Rot. Bonds

About fluoromethylidenecyclododecane

fluoromethylidenecyclododecane (PubChem CID 101097548) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is fluoromethylidenecyclododecane.

Molecular Properties

Compound Namefluoromethylidenecyclododecane
PubChem CID101097548
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Namefluoromethylidenecyclododecane
SMILESFC=C1CCCCCCCCCCC1
InChIInChI=1S/C13H23F/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2
InChIKeyKXPNIIODYLAUCQ-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.32
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of fluoromethylidenecyclododecane?
The IUPAC name of fluoromethylidenecyclododecane (CID 101097548) is fluoromethylidenecyclododecane.
What is the SMILES notation for fluoromethylidenecyclododecane?
The canonical SMILES for fluoromethylidenecyclododecane is FC=C1CCCCCCCCCCC1.
What is the InChIKey of fluoromethylidenecyclododecane?
The InChIKey is KXPNIIODYLAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2.
What are the key properties of fluoromethylidenecyclododecane?
fluoromethylidenecyclododecane has a molecular weight of 198.32 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethylidenecyclododecane is sourced from PubChem (CID 101097548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).