3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

C8H10F3NO — CID 142974482

IUPAC3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C=CC1OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-5,7H,12H2,1H3
InChIKeyASCYZLOGUWQQOZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.94
Rot. Bonds1

About 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 142974482) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID142974482
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C=CC1OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-5,7H,12H2,1H3
InChIKeyASCYZLOGUWQQOZ-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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Related Compounds

4-Ethoxy-4-fluorocyclohexa-1,5-dien-1-amine
CID 69280368
5-Fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 89073888
5-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89074127
3-(2-Fluoroethylidene)-4-methoxycyclohexa-1,5-dien-1-amine
CID 141316299
[3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]azanium
CID 142974481
4-Fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 153835839
6-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154356628
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 155470395
4-[Chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine
CID 162619689
4-(2,2,3,3-Tetrafluoropropoxy)cyclohexa-1,5-dien-1-amine
CID 164016935
3-(Difluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 166815040
3-Fluoro-3-methoxycyclohexa-1,5-dien-1-amine
CID 177946792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 142974482) is 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is CC1C=C(N)C=CC1OC(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is ASCYZLOGUWQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-5,7H,12H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
3-methyl-4-(trifluoromethoxy)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 3-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142974482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).