6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C8H10F3NO — CID 69301389

IUPAC6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1(C(F)(F)F)C=CC=CC1N
InChIInChI=1S/C8H10F3NO/c1-13-7(8(9,10)11)5-3-2-4-6(7)12/h2-6H,12H2,1H3
InChIKeyYSDUSJQZLKYMLE-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.39
Rot. Bonds1

About 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 69301389) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID69301389
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1(C(F)(F)F)C=CC=CC1N
InChIInChI=1S/C8H10F3NO/c1-13-7(8(9,10)11)5-3-2-4-6(7)12/h2-6H,12H2,1H3
InChIKeyYSDUSJQZLKYMLE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 69301389) is 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is COC1(C(F)(F)F)C=CC=CC1N.
What is the InChIKey of 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is YSDUSJQZLKYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-13-7(8(9,10)11)5-3-2-4-6(7)12/h2-6H,12H2,1H3.
What are the key properties of 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69301389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).