6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol

C12H11F3O — CID 79755983

IUPAC6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2ccc(F)c(F)c2F)C2CCCC21
InChIInChI=1S/C12H11F3O/c13-9-5-4-8(10(14)11(9)15)12(16)6-2-1-3-7(6)12/h4-7,16H,1-3H2
InChIKeyFDGYOCZKCNWSOM-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.72
Rot. Bonds1

About 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol

6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79755983) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79755983
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2ccc(F)c(F)c2F)C2CCCC21
InChIInChI=1S/C12H11F3O/c13-9-5-4-8(10(14)11(9)15)12(16)6-2-1-3-7(6)12/h4-7,16H,1-3H2
InChIKeyFDGYOCZKCNWSOM-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol (CID 79755983) is 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol is OC1(c2ccc(F)c(F)c2F)C2CCCC21.
What is the InChIKey of 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is FDGYOCZKCNWSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c13-9-5-4-8(10(14)11(9)15)12(16)6-2-1-3-7(6)12/h4-7,16H,1-3H2.
What are the key properties of 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol?
6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 228.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79755983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).