2-fluoroprop-2-enoxycyclododecane

C15H27FO — CID 10800230

IUPAC2-fluoroprop-2-enoxycyclododecane
SMILESC=C(F)COC1CCCCCCCCCCC1
InChIInChI=1S/C15H27FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,1-13H2
InChIKeyCBPSVXSQQFTPCA-UHFFFAOYSA-N
MW242.38 g/mol
LogP5.16
Rot. Bonds3

About 2-fluoroprop-2-enoxycyclododecane

2-fluoroprop-2-enoxycyclododecane (PubChem CID 10800230) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is 2-fluoroprop-2-enoxycyclododecane.

Molecular Properties

Compound Name2-fluoroprop-2-enoxycyclododecane
PubChem CID10800230
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name2-fluoroprop-2-enoxycyclododecane
SMILESC=C(F)COC1CCCCCCCCCCC1
InChIInChI=1S/C15H27FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,1-13H2
InChIKeyCBPSVXSQQFTPCA-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Prop-2-enoxyoctane
CID 14970998
trans-(1R,2R)-1-fluoro-2-prop-2-enoxycyclododecane
CID 10752702
cis-(1S,2R)-1-fluoro-2-prop-2-enoxycyclododecane
CID 10776579
Trifluoro(3-octan-2-yloxyprop-1-en-2-yl)boranuide
CID 106746670
Prop-2-enoxycyclododecane
CID 53431145
2-Prop-2-enoxydodecane
CID 57054634
2-Prop-2-enoxyundecane
CID 89944842
Prop-2-enoxycyclooctane
CID 121216306
2-(2-Methylprop-2-enoxy)octane
CID 173077419
3-(2-Methylprop-2-enoxy)undecane
CID 173295392
2-Methylprop-2-enoxycyclododecane
CID 84820739
4-Prop-2-enoxydecane
CID 102003307

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enoxycyclododecane?
The IUPAC name of 2-fluoroprop-2-enoxycyclododecane (CID 10800230) is 2-fluoroprop-2-enoxycyclododecane.
What is the SMILES notation for 2-fluoroprop-2-enoxycyclododecane?
The canonical SMILES for 2-fluoroprop-2-enoxycyclododecane is C=C(F)COC1CCCCCCCCCCC1.
What is the InChIKey of 2-fluoroprop-2-enoxycyclododecane?
The InChIKey is CBPSVXSQQFTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO/c1-14(16)13-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,1-13H2.
What are the key properties of 2-fluoroprop-2-enoxycyclododecane?
2-fluoroprop-2-enoxycyclododecane has a molecular weight of 242.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enoxycyclododecane is sourced from PubChem (CID 10800230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).