2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H20F6O — CID 162551742

IUPAC2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C2=C(CCCC2)C2CCCCC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F6O/c17-15(18,19)14(23,16(20,21)22)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h9,11,13,23H,1-8H2
InChIKeyUCBFEQYWWXLVKS-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.15
Rot. Bonds1

About 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 162551742) has the molecular formula C16H20F6O and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID162551742
Molecular FormulaC16H20F6O
Molecular Weight342.32 g/mol
Exact Mass342.14
IUPAC Name2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1C2=C(CCCC2)C2CCCCC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F6O/c17-15(18,19)14(23,16(20,21)22)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h9,11,13,23H,1-8H2
InChIKeyUCBFEQYWWXLVKS-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 162551742) is 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1C2=C(CCCC2)C2CCCCC21)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UCBFEQYWWXLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O/c17-15(18,19)14(23,16(20,21)22)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h9,11,13,23H,1-8H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 342.32 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-fluoren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 162551742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).