2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H18F6O — CID 88585675

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC2CCCCC2C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H18F6O/c14-12(15,16)11(20,13(17,18)19)10-6-5-8-3-1-2-4-9(8)7-10/h8-10,20H,1-7H2
InChIKeyFODMCUUNJYDKQY-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.45
Rot. Bonds1

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 88585675) has the molecular formula C13H18F6O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID88585675
Molecular FormulaC13H18F6O
Molecular Weight304.27 g/mol
Exact Mass304.13
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC2CCCCC2C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H18F6O/c14-12(15,16)11(20,13(17,18)19)10-6-5-8-3-1-2-4-9(8)7-10/h8-10,20H,1-7H2
InChIKeyFODMCUUNJYDKQY-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 88585675) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CCC2CCCCC2C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FODMCUUNJYDKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O/c14-12(15,16)11(20,13(17,18)19)10-6-5-8-3-1-2-4-9(8)7-10/h8-10,20H,1-7H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 304.27 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 88585675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).