(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

C7H7F3O — CID 71662886

IUPAC(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6,11H,3H2/t6-/m0/s1
InChIKeyJYTZHISBWBKXNT-LURJTMIESA-N
MW164.13 g/mol
LogP1.80
Rot. Bonds

About (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 71662886) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID71662886
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6,11H,3H2/t6-/m0/s1
InChIKeyJYTZHISBWBKXNT-LURJTMIESA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 15313333
(1R,2S)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
CID 14149795
3-(Trifluoromethyl)-3,5-cyclohexadiene-1alpha,2alpha-diol
CID 14149796
(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
6-Fluorocyclohexa-2,4-dien-1-ol
CID 134894964
4-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242862
5-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242863
(1R)-4-methylcyclohexa-2,4-dien-1-ol
CID 118873769
(1R,2R)-3-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diol
CID 139242828
Cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane
CID 139242861
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242864

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 71662886) is (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is O[C@@H]1C=C(C(F)(F)F)C=CC1.
What is the InChIKey of (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is JYTZHISBWBKXNT-LURJTMIESA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-2,4,6,11H,3H2/t6-/m0/s1.
What are the key properties of (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 164.13 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 71662886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).