(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol

C7H7F3O2 — CID 139242828

IUPAC(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
SMILESO[C@@H]1C=CC=C(C(F)(F)F)[C@H]1O
InChIInChI=1S/C7H7F3O2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3,5-6,11-12H/t5-,6-/m1/s1
InChIKeyPXZKPGUCDSOHLL-PHDIDXHHSA-N
MW180.12 g/mol
LogP0.77
Rot. Bonds

About (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol

(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 139242828) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
PubChem CID139242828
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
SMILESO[C@@H]1C=CC=C(C(F)(F)F)[C@H]1O
InChIInChI=1S/C7H7F3O2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3,5-6,11-12H/t5-,6-/m1/s1
InChIKeyPXZKPGUCDSOHLL-PHDIDXHHSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Cyclohexadiene-1,2-diol, 3-methyl-, cis-
CID 440399
(1R,2S)-3-ethenylcyclohexa-3,5-diene-1,2-diol
CID 9543035
(1S,2S)-3-fluorocyclohexa-3,5-diene-1,2-diol
CID 2725057
(1R,2S)-3-methylcyclohexa-3,5-diene-1,2-diol
CID 7059435
3,5-Cyclohexadiene-1,2-diol, 3-fluoro-, cis-
CID 8030063
(1S,2R)-3-ethenylcyclohexa-3,5-diene-1,2-diol
CID 11126324
(1R,2S)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
CID 14149795
3-(Trifluoromethyl)-3,5-cyclohexadiene-1alpha,2alpha-diol
CID 14149796
2-Fluorocatechol
CID 21896321
(1R,2R)-3-fluoro-6-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
CID 67860286
3-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 78143303
4-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242862

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol (CID 139242828) is (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol is O[C@@H]1C=CC=C(C(F)(F)F)[C@H]1O.
What is the InChIKey of (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is PXZKPGUCDSOHLL-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H7F3O2/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3,5-6,11-12H/t5-,6-/m1/s1.
What are the key properties of (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol?
(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 180.12 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 139242828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).