2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine

C8H12FN — CID 70479839

IUPAC2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1(C)C=CC=C(F)C1N
InChIInChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3
InChIKeyGUIAUGOUNKPKPS-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds

About 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine

2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 70479839) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID70479839
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1(C)C=CC=C(F)C1N
InChIInChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3
InChIKeyGUIAUGOUNKPKPS-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine (CID 70479839) is 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine is CC1(C)C=CC=C(F)C1N.
What is the InChIKey of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is GUIAUGOUNKPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-8(2)5-3-4-6(9)7(8)10/h3-5,7H,10H2,1-2H3.
What are the key properties of 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine?
2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70479839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).