2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

C15H22F4O2 — CID 89136997

IUPAC2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC(F)(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C15H22F4O2/c1-14(16,17)15(18,19)11-7-10-6-9(11)8-12(10)21-13-4-2-3-5-20-13/h9-13H,2-8H2,1H3
InChIKeyCZOYHHMFHFYZIL-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.23
Rot. Bonds4

About 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (PubChem CID 89136997) has the molecular formula C15H22F4O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.

Molecular Properties

Compound Name2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
PubChem CID89136997
Molecular FormulaC15H22F4O2
Molecular Weight310.33 g/mol
Exact Mass310.16
IUPAC Name2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC(F)(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C15H22F4O2/c1-14(16,17)15(18,19)11-7-10-6-9(11)8-12(10)21-13-4-2-3-5-20-13/h9-13H,2-8H2,1H3
InChIKeyCZOYHHMFHFYZIL-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfinic acid
CID 89369481
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 59018729
[(1S,2R,4S,7R,9S,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 124783280
[(1R,2R,4S,7S,9R,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 94037251
N,N-dimethyl-1-[2-(oxan-2-yloxy)cyclopropyl]methanamine
CID 22325111
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
2-cycloheptyloxyoxane
CID 11735764

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The IUPAC name of 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (CID 89136997) is 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.
What is the SMILES notation for 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The canonical SMILES for 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is CC(F)(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1.
What is the InChIKey of 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The InChIKey is CZOYHHMFHFYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4O2/c1-14(16,17)15(18,19)11-7-10-6-9(11)8-12(10)21-13-4-2-3-5-20-13/h9-13H,2-8H2,1H3.
What are the key properties of 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane has a molecular weight of 310.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is sourced from PubChem (CID 89136997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).