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

C8H10F3NO — CID 162578109

IUPAC4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCC1(OC(F)(F)F)C=CC(N)=CC1
InChIInChI=1S/C8H10F3NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3
InChIKeyNPHPPRDSBMWJPG-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.08
Rot. Bonds1

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

4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 162578109) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID162578109
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCC1(OC(F)(F)F)C=CC(N)=CC1
InChIInChI=1S/C8H10F3NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3
InChIKeyNPHPPRDSBMWJPG-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 162578109) is 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is CC1(OC(F)(F)F)C=CC(N)=CC1.
What is the InChIKey of 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is NPHPPRDSBMWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3.
What are the key properties of 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-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 4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162578109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).