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

C8H10F3NO — CID 154356628

IUPAC6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(N)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-13-6-4-2-3-5-7(6,12)8(9,10)11/h2-6H,12H2,1H3
InChIKeyFFEZZULKZUBBTP-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.39
Rot. Bonds1

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

6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 154356628) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID154356628
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(N)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-13-6-4-2-3-5-7(6,12)8(9,10)11/h2-6H,12H2,1H3
InChIKeyFFEZZULKZUBBTP-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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Related Compounds

4-Trifluoromethoxy-1-methyl-aniline
CID 66987541
6-Methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69301389
6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
1-Fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 139410833
[3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]azanium
CID 142974481
6-(2,2,2-Trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 150124657
1,3-Difluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-amine
CID 163387766
6-(2,2,2-Trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 166661463
4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 174383033
6-(1,2,2,3,3,3-Hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine
CID 175490050
3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 142974482

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 154356628) is 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is COC1C=CC=CC1(N)C(F)(F)F.
What is the InChIKey of 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is FFEZZULKZUBBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-13-6-4-2-3-5-7(6,12)8(9,10)11/h2-6H,12H2,1H3.
What are the key properties of 6-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-methoxy-1-(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-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 154356628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).