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

C8H10F3N — CID 146906039

IUPACN-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCNC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4-6,12H,3H2,1H3
InChIKeyAAJUJARBFBEEOI-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.23
Rot. Bonds1

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

N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 146906039) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID146906039
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESCNC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4-6,12H,3H2,1H3
InChIKeyAAJUJARBFBEEOI-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 146906039) is N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is CNC1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is AAJUJARBFBEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2,4-6,12H,3H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146906039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).