2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H6F6O — CID 139147631

IUPAC2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=CC=CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1-3,15H,4H2
InChIKeyLIZXKWJXAYADHH-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.73
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 139147631) has the molecular formula C8H6F6O and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID139147631
Molecular FormulaC8H6F6O
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=CC=CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1-3,15H,4H2
InChIKeyLIZXKWJXAYADHH-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 139147631) is 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1=CC=CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LIZXKWJXAYADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O/c9-7(10,11)6(15,8(12,13)14)5-3-1-2-4-5/h1-3,15H,4H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 232.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 139147631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).