2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol

C21H21F3O2 — CID 59492550

IUPAC2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCCC3)cc21
InChIInChI=1S/C21H21F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h4-5,8-12,14,25H,1-3,6-7,13H2
InChIKeyODORILUBTAAJSV-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.42
Rot. Bonds3

About 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492550) has the molecular formula C21H21F3O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492550
Molecular FormulaC21H21F3O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCCC3)cc21
InChIInChI=1S/C21H21F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h4-5,8-12,14,25H,1-3,6-7,13H2
InChIKeyODORILUBTAAJSV-UHFFFAOYSA-N
XLogP5.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492550) is 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCCC3)cc21.
What is the InChIKey of 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ODORILUBTAAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3O2/c22-21(23,24)20(25)18-9-5-4-8-16(18)17-11-10-15(12-19(17)20)26-13-14-6-2-1-3-7-14/h4-5,8-12,14,25H,1-3,6-7,13H2.
What are the key properties of 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 362.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).