2,2-difluoroethylcyclododecane

C14H26F2 — CID 166446773

IUPAC2,2-difluoroethylcyclododecane
SMILESFC(F)CC1CCCCCCCCCCC1
InChIInChI=1S/C14H26F2/c15-14(16)12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2
InChIKeyKNVHQDDWHJDPGM-UHFFFAOYSA-N
MW232.36 g/mol
LogP5.56
Rot. Bonds2

About 2,2-difluoroethylcyclododecane

2,2-difluoroethylcyclododecane (PubChem CID 166446773) has the molecular formula C14H26F2 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2,2-difluoroethylcyclododecane.

Molecular Properties

Compound Name2,2-difluoroethylcyclododecane
PubChem CID166446773
Molecular FormulaC14H26F2
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2,2-difluoroethylcyclododecane
SMILESFC(F)CC1CCCCCCCCCCC1
InChIInChI=1S/C14H26F2/c15-14(16)12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2
InChIKeyKNVHQDDWHJDPGM-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.36
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethylcyclododecane?
The IUPAC name of 2,2-difluoroethylcyclododecane (CID 166446773) is 2,2-difluoroethylcyclododecane.
What is the SMILES notation for 2,2-difluoroethylcyclododecane?
The canonical SMILES for 2,2-difluoroethylcyclododecane is FC(F)CC1CCCCCCCCCCC1.
What is the InChIKey of 2,2-difluoroethylcyclododecane?
The InChIKey is KNVHQDDWHJDPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2/c15-14(16)12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2.
What are the key properties of 2,2-difluoroethylcyclododecane?
2,2-difluoroethylcyclododecane has a molecular weight of 232.36 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethylcyclododecane is sourced from PubChem (CID 166446773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).