[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

C10H6F12O2 — CID 12593537

IUPAC[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOCC12C(F)(F)C(F)(F)C(CO)(C(F)(F)C1(F)F)C(F)(F)C2(F)F
InChIInChI=1S/C10H6F12O2/c11-5(12)3(1-23)6(13,14)9(19,20)4(2-24,8(5,17)18)10(21,22)7(3,15)16/h23-24H,1-2H2
InChIKeyXDNWKIDPGZXMDK-UHFFFAOYSA-N
MW386.13 g/mol
LogP2.78
Rot. Bonds2

About [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 12593537) has the molecular formula C10H6F12O2 and a molecular weight of 386.13 g/mol. Its IUPAC name is [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID12593537
Molecular FormulaC10H6F12O2
Molecular Weight386.13 g/mol
Exact Mass386.02
IUPAC Name[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOCC12C(F)(F)C(F)(F)C(CO)(C(F)(F)C1(F)F)C(F)(F)C2(F)F
InChIInChI=1S/C10H6F12O2/c11-5(12)3(1-23)6(13,14)9(19,20)4(2-24,8(5,17)18)10(21,22)7(3,15)16/h23-24H,1-2H2
InChIKeyXDNWKIDPGZXMDK-UHFFFAOYSA-N
XLogP2.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.13
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (CID 12593537) is [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is OCC12C(F)(F)C(F)(F)C(CO)(C(F)(F)C1(F)F)C(F)(F)C2(F)F.
What is the InChIKey of [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is XDNWKIDPGZXMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O2/c11-5(12)3(1-23)6(13,14)9(19,20)4(2-24,8(5,17)18)10(21,22)7(3,15)16/h23-24H,1-2H2.
What are the key properties of [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
[2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 386.13 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3,5,5,6,6,7,7,8,8-dodecafluoro-4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 12593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).