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

C8H10F3NO — CID 66987541

IUPAC1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c1-7(12)4-2-6(3-5-7)13-8(9,10)11/h2-4H,5,12H2,1H3
InChIKeyZBVVLZGPRHBRGO-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.08
Rot. Bonds1

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

1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 66987541) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID66987541
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c1-7(12)4-2-6(3-5-7)13-8(9,10)11/h2-4H,5,12H2,1H3
InChIKeyZBVVLZGPRHBRGO-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Paramethylanisidine
CID 69626332
4-(1,1,2,3,3,3-Hexafluoropropoxy)-1-methylaniline
CID 18178018
6-Fluoro-4-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 68421839
1-Methyl-4-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-amine
CID 142074965
1-Methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine
CID 142548117
5-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 151591338
6-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154356628
2-(Difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine
CID 163427467
4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 174383033
4-Fluoro-1-methyl-5-(trifluoromethoxy)cyclohepta-2,4,6-trien-1-amine
CID 144162942
4-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 162578109
3-(Difluoromethoxy)-1-methylcyclopenta-2,4-dien-1-amine
CID 162589999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 66987541) is 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is CC1(N)C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is ZBVVLZGPRHBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-7(12)4-2-6(3-5-7)13-8(9,10)11/h2-4H,5,12H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 66987541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).