9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene

C16H10F6O — CID 630389

IUPAC9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene
SMILESFC(F)(F)C(OC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C16H10F6O/c17-15(18,19)14(16(20,21)22)23-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKeyTZPGVUOVPJQJMV-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.27
Rot. Bonds2

About 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene

9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene (PubChem CID 630389) has the molecular formula C16H10F6O and a molecular weight of 332.24 g/mol. Its IUPAC name is 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene.

Molecular Properties

Compound Name9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene
PubChem CID630389
Molecular FormulaC16H10F6O
Molecular Weight332.24 g/mol
Exact Mass332.06
IUPAC Name9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene
SMILESFC(F)(F)C(OC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C16H10F6O/c17-15(18,19)14(16(20,21)22)23-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKeyTZPGVUOVPJQJMV-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene?
The IUPAC name of 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene (CID 630389) is 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene.
What is the SMILES notation for 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene?
The canonical SMILES for 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene is FC(F)(F)C(OC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene?
The InChIKey is TZPGVUOVPJQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O/c17-15(18,19)14(16(20,21)22)23-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H.
What are the key properties of 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene?
9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene has a molecular weight of 332.24 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-9H-fluorene is sourced from PubChem (CID 630389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).