diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol

C20H19F3O2 — CID 10980949

IUPACdiphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol
SMILESOC(C1=CCCC1OCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19F3O2/c21-19(22,23)14-25-18-13-7-12-17(18)20(24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,24H,7,13-14H2
InChIKeyHQVYRJADMYMOJV-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.59
Rot. Bonds5

About diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol

diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol (PubChem CID 10980949) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol.

Molecular Properties

Compound Namediphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol
PubChem CID10980949
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Namediphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol
SMILESOC(C1=CCCC1OCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19F3O2/c21-19(22,23)14-25-18-13-7-12-17(18)20(24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,24H,7,13-14H2
InChIKeyHQVYRJADMYMOJV-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
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 diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol?
The IUPAC name of diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol (CID 10980949) is diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol.
What is the SMILES notation for diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol?
The canonical SMILES for diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol is OC(C1=CCCC1OCC(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol?
The InChIKey is HQVYRJADMYMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c21-19(22,23)14-25-18-13-7-12-17(18)20(24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,24H,7,13-14H2.
What are the key properties of diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol?
diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol has a molecular weight of 348.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[5-(2,2,2-trifluoroethoxy)cyclopenten-1-yl]methanol is sourced from PubChem (CID 10980949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).