2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine

C8H11F2N — CID 163867651

IUPAC2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1C(F)=CC(C)=CC1F
InChIInChI=1S/C8H11F2N/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4,6,8,11H,1-2H3
InChIKeyPIBAYVHVWBHPMG-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.73
Rot. Bonds1

About 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine

2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 163867651) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID163867651
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1C(F)=CC(C)=CC1F
InChIInChI=1S/C8H11F2N/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4,6,8,11H,1-2H3
InChIKeyPIBAYVHVWBHPMG-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine (CID 163867651) is 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine is CNC1C(F)=CC(C)=CC1F.
What is the InChIKey of 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is PIBAYVHVWBHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4,6,8,11H,1-2H3.
What are the key properties of 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 159.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163867651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).