2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine

C7H8F3N — CID 163949932

IUPAC2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(F)C(F)C(F)C=C1
InChIInChI=1S/C7H8F3N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-4,6,11H,1H3
InChIKeyRYKNUIYTRCJYAW-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.63
Rot. Bonds1

About 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine

2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163949932) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID163949932
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(F)C(F)C(F)C=C1
InChIInChI=1S/C7H8F3N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-4,6,11H,1H3
InChIKeyRYKNUIYTRCJYAW-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine (CID 163949932) is 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine is CNC1=C(F)C(F)C(F)C=C1.
What is the InChIKey of 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is RYKNUIYTRCJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-4,6,11H,1H3.
What are the key properties of 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine?
2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 163.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163949932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).