5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C8H10F3NO — CID 89035045

IUPAC5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=CC(C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2,4-5H,3,12H2,1H3
InChIKeyJHRNTQBDOKRFOO-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.94
Rot. Bonds1

About 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 89035045) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID89035045
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCOC1=CC(N)=CC(C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2,4-5H,3,12H2,1H3
InChIKeyJHRNTQBDOKRFOO-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 89035045) is 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is COC1=CC(N)=CC(C(F)(F)F)C1.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is JHRNTQBDOKRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2,4-5H,3,12H2,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89035045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).