1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane

C12H10F12O — CID 58537736

IUPAC1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane
SMILESFC1C(F)(F)CCCC1(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H10F12O/c13-5-7(15,2-1-3-8(5,16)17)4-25-10(20)6(14)9(18,19)11(21,22)12(10,23)24/h5-6H,1-4H2
InChIKeyHPSTWFXJSKANNW-UHFFFAOYSA-N
MW398.19 g/mol
LogP4.79
Rot. Bonds3

About 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane

1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane (PubChem CID 58537736) has the molecular formula C12H10F12O and a molecular weight of 398.19 g/mol. Its IUPAC name is 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane
PubChem CID58537736
Molecular FormulaC12H10F12O
Molecular Weight398.19 g/mol
Exact Mass398.05
IUPAC Name1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane
SMILESFC1C(F)(F)CCCC1(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H10F12O/c13-5-7(15,2-1-3-8(5,16)17)4-25-10(20)6(14)9(18,19)11(21,22)12(10,23)24/h5-6H,1-4H2
InChIKeyHPSTWFXJSKANNW-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane?
The IUPAC name of 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane (CID 58537736) is 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane?
The canonical SMILES for 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane is FC1C(F)(F)CCCC1(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane?
The InChIKey is HPSTWFXJSKANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12O/c13-5-7(15,2-1-3-8(5,16)17)4-25-10(20)6(14)9(18,19)11(21,22)12(10,23)24/h5-6H,1-4H2.
What are the key properties of 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane?
1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane has a molecular weight of 398.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane is sourced from PubChem (CID 58537736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).