8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol

C13H17F5O2 — CID 58589814

IUPAC8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H17F5O2/c14-12(15,10(19)13(16,17)18)11(20)5-6-4-9(11)8-3-1-2-7(6)8/h6-10,19-20H,1-5H2
InChIKeyNCQHVSHTOMQFIO-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.73
Rot. Bonds2

About 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol

8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 58589814) has the molecular formula C13H17F5O2 and a molecular weight of 300.27 g/mol. Its IUPAC name is 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID58589814
Molecular FormulaC13H17F5O2
Molecular Weight300.27 g/mol
Exact Mass300.11
IUPAC Name8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C13H17F5O2/c14-12(15,10(19)13(16,17)18)11(20)5-6-4-9(11)8-3-1-2-7(6)8/h6-10,19-20H,1-5H2
InChIKeyNCQHVSHTOMQFIO-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol (CID 58589814) is 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol is OC(C(F)(F)F)C(F)(F)C1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is NCQHVSHTOMQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O2/c14-12(15,10(19)13(16,17)18)11(20)5-6-4-9(11)8-3-1-2-7(6)8/h6-10,19-20H,1-5H2.
What are the key properties of 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 300.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 58589814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).