2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol

C8H10F4O — CID 58705065

IUPAC2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
SMILESOC(C(F)F)(C(F)F)C1C=CCC1
InChIInChI=1S/C8H10F4O/c9-6(10)8(13,7(11)12)5-3-1-2-4-5/h1,3,5-7,13H,2,4H2
InChIKeyORIAQTSACUEANG-UHFFFAOYSA-N
MW198.16 g/mol
LogP2.21
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol

2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol (PubChem CID 58705065) has the molecular formula C8H10F4O and a molecular weight of 198.16 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
PubChem CID58705065
Molecular FormulaC8H10F4O
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Name2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
SMILESOC(C(F)F)(C(F)F)C1C=CCC1
InChIInChI=1S/C8H10F4O/c9-6(10)8(13,7(11)12)5-3-1-2-4-5/h1,3,5-7,13H,2,4H2
InChIKeyORIAQTSACUEANG-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 52.21
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-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol (CID 58705065) is 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol is OC(C(F)F)(C(F)F)C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol?
The InChIKey is ORIAQTSACUEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O/c9-6(10)8(13,7(11)12)5-3-1-2-4-5/h1,3,5-7,13H,2,4H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol?
2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol has a molecular weight of 198.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol is sourced from PubChem (CID 58705065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).