1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol

C7H6F6O2 — CID 89202827

IUPAC1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol
SMILESOC1(C(F)(F)F)C=CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H6F6O2/c8-6(9,10)4(14)1-2-5(15,3-4)7(11,12)13/h1-2,14-15H,3H2
InChIKeyRWQGRNDCPLKCEZ-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.53
Rot. Bonds

About 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol

1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol (PubChem CID 89202827) has the molecular formula C7H6F6O2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol
PubChem CID89202827
Molecular FormulaC7H6F6O2
Molecular Weight236.11 g/mol
Exact Mass236.03
IUPAC Name1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol
SMILESOC1(C(F)(F)F)C=CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H6F6O2/c8-6(9,10)4(14)1-2-5(15,3-4)7(11,12)13/h1-2,14-15H,3H2
InChIKeyRWQGRNDCPLKCEZ-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol?
The IUPAC name of 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol (CID 89202827) is 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol.
What is the SMILES notation for 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol?
The canonical SMILES for 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol is OC1(C(F)(F)F)C=CC(O)(C(F)(F)F)C1.
What is the InChIKey of 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol?
The InChIKey is RWQGRNDCPLKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2/c8-6(9,10)4(14)1-2-5(15,3-4)7(11,12)13/h1-2,14-15H,3H2.
What are the key properties of 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol?
1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol has a molecular weight of 236.11 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)cyclopent-4-ene-1,3-diol is sourced from PubChem (CID 89202827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).