2-cyclohexyl-5-(trifluoromethyl)phenol

C13H15F3O — CID 117104272

IUPAC2-cyclohexyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1C1CCCCC1
InChIInChI=1S/C13H15F3O/c14-13(15,16)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h6-9,17H,1-5H2
InChIKeyVIDNGCSCQGASKF-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.46
Rot. Bonds1

About 2-cyclohexyl-5-(trifluoromethyl)phenol

2-cyclohexyl-5-(trifluoromethyl)phenol (PubChem CID 117104272) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-5-(trifluoromethyl)phenol
PubChem CID117104272
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-cyclohexyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1C1CCCCC1
InChIInChI=1S/C13H15F3O/c14-13(15,16)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h6-9,17H,1-5H2
InChIKeyVIDNGCSCQGASKF-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-cyclohexyl-5-(trifluoromethyl)phenol (CID 117104272) is 2-cyclohexyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-cyclohexyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-cyclohexyl-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-(trifluoromethyl)phenol?
The InChIKey is VIDNGCSCQGASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c14-13(15,16)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h6-9,17H,1-5H2.
What are the key properties of 2-cyclohexyl-5-(trifluoromethyl)phenol?
2-cyclohexyl-5-(trifluoromethyl)phenol has a molecular weight of 244.26 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117104272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).