(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene

C9H11F3O2 — CID 134889152

IUPAC(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@@H]1C=CC=C(C(F)(F)F)[C@@H]1OC
InChIInChI=1S/C9H11F3O2/c1-13-7-5-3-4-6(8(7)14-2)9(10,11)12/h3-5,7-8H,1-2H3/t7-,8+/m1/s1
InChIKeyIZKCLEBQBARVNV-SFYZADRCSA-N
MW208.18 g/mol
LogP2.07
Rot. Bonds2

About (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene

(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 134889152) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID134889152
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@@H]1C=CC=C(C(F)(F)F)[C@@H]1OC
InChIInChI=1S/C9H11F3O2/c1-13-7-5-3-4-6(8(7)14-2)9(10,11)12/h3-5,7-8H,1-2H3/t7-,8+/m1/s1
InChIKeyIZKCLEBQBARVNV-SFYZADRCSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 134889152) is (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene is CO[C@@H]1C=CC=C(C(F)(F)F)[C@@H]1OC.
What is the InChIKey of (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is IZKCLEBQBARVNV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-13-7-5-3-4-6(8(7)14-2)9(10,11)12/h3-5,7-8H,1-2H3/t7-,8+/m1/s1.
What are the key properties of (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 208.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 134889152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).