N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

C8H10F3NO — CID 150264255

IUPACN-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCNC1(OC(F)(F)F)C=CC=CC1
InChIInChI=1S/C8H10F3NO/c1-12-7(13-8(9,10)11)5-3-2-4-6-7/h2-5,12H,6H2,1H3
InChIKeyGCEZUIMQITYUCL-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 150264255) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID150264255
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCNC1(OC(F)(F)F)C=CC=CC1
InChIInChI=1S/C8H10F3NO/c1-12-7(13-8(9,10)11)5-3-2-4-6-7/h2-5,12H,6H2,1H3
InChIKeyGCEZUIMQITYUCL-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 150264255) is N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is CNC1(OC(F)(F)F)C=CC=CC1.
What is the InChIKey of N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is GCEZUIMQITYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-12-7(13-8(9,10)11)5-3-2-4-6-7/h2-5,12H,6H2,1H3.
What are the key properties of N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 150264255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).