2-fluoropropoxycyclododecane

C15H29FO — CID 10776716

IUPAC2-fluoropropoxycyclododecane
SMILESCC(F)COC1CCCCCCCCCCC1
InChIInChI=1S/C15H29FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-15H,2-13H2,1H3
InChIKeyVHQXJHRYFSCUNJ-UHFFFAOYSA-N
MW244.39 g/mol
LogP5.03
Rot. Bonds3

About 2-fluoropropoxycyclododecane

2-fluoropropoxycyclododecane (PubChem CID 10776716) has the molecular formula C15H29FO and a molecular weight of 244.39 g/mol. Its IUPAC name is 2-fluoropropoxycyclododecane.

Molecular Properties

Compound Name2-fluoropropoxycyclododecane
PubChem CID10776716
Molecular FormulaC15H29FO
Molecular Weight244.39 g/mol
Exact Mass244.22
IUPAC Name2-fluoropropoxycyclododecane
SMILESCC(F)COC1CCCCCCCCCCC1
InChIInChI=1S/C15H29FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-15H,2-13H2,1H3
InChIKeyVHQXJHRYFSCUNJ-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropoxycyclododecane?
The IUPAC name of 2-fluoropropoxycyclododecane (CID 10776716) is 2-fluoropropoxycyclododecane.
What is the SMILES notation for 2-fluoropropoxycyclododecane?
The canonical SMILES for 2-fluoropropoxycyclododecane is CC(F)COC1CCCCCCCCCCC1.
What is the InChIKey of 2-fluoropropoxycyclododecane?
The InChIKey is VHQXJHRYFSCUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-15H,2-13H2,1H3.
What are the key properties of 2-fluoropropoxycyclododecane?
2-fluoropropoxycyclododecane has a molecular weight of 244.39 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropoxycyclododecane is sourced from PubChem (CID 10776716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).