(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol

C13H11F3O — CID 163923607

IUPAC(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol
SMILESO[C@H]1C=C(c2ccc(C(F)(F)F)cc2)C=CC1
InChIInChI=1S/C13H11F3O/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-2,4-8,12,17H,3H2/t12-/m1/s1
InChIKeyRCOAMRURHZCRHH-GFCCVEGCSA-N
MW240.22 g/mol
LogP3.41
Rot. Bonds1

About (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol

(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol (PubChem CID 163923607) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol
PubChem CID163923607
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol
SMILESO[C@H]1C=C(c2ccc(C(F)(F)F)cc2)C=CC1
InChIInChI=1S/C13H11F3O/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-2,4-8,12,17H,3H2/t12-/m1/s1
InChIKeyRCOAMRURHZCRHH-GFCCVEGCSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol (CID 163923607) is (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol is O[C@H]1C=C(c2ccc(C(F)(F)F)cc2)C=CC1.
What is the InChIKey of (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is RCOAMRURHZCRHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11F3O/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-2,4-8,12,17H,3H2/t12-/m1/s1.
What are the key properties of (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol?
(1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 240.22 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163923607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).