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

C7H8F3N — CID 23505215

IUPAC6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6H,11H2
InChIKeyJMNBDTZCWVWCFH-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.62
Rot. Bonds

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

6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 23505215) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID23505215
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H8F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6H,11H2
InChIKeyJMNBDTZCWVWCFH-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrotoluidin
CID 89012782
1,2-Difluoro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 21614385
2-Fluoro-2-methylaniline
CID 22273309
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
3-Fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68045101
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
1-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69149864
(6,6-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69284464

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 23505215) is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is NC1C=CC=CC1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is JMNBDTZCWVWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6H,11H2.
What are the key properties of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23505215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).