6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C8H10F3N — CID 89073819

IUPAC6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C(F)(F)F)CC=C1N
InChIInChI=1S/C8H10F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h3-4,6H,2,12H2,1H3
InChIKeyCRSZFCXFWUECLT-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.36
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 89073819) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID89073819
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C(F)(F)F)CC=C1N
InChIInChI=1S/C8H10F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h3-4,6H,2,12H2,1H3
InChIKeyCRSZFCXFWUECLT-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 20278634
3,6-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 20577133
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
3,5-Difluoro-5,6-dimethylcyclohexa-1,3-dien-1-amine
CID 69711831
3,4-Difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 70567026
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
6-Fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 89053218
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89074118
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
CID 89214774

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 89073819) is 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CC1=CC(C(F)(F)F)CC=C1N.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is CRSZFCXFWUECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h3-4,6H,2,12H2,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89073819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).