N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine

C12H14FN — CID 135193102

IUPACN-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine
SMILESFC1=CCC(NC2=CCCC=C2)C=C1
InChIInChI=1S/C12H14FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-8,12,14H,1,3,9H2
InChIKeyKAXWNTNJYCMNOM-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.99
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine

N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 135193102) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine
PubChem CID135193102
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC NameN-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine
SMILESFC1=CCC(NC2=CCCC=C2)C=C1
InChIInChI=1S/C12H14FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-8,12,14H,1,3,9H2
InChIKeyKAXWNTNJYCMNOM-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-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 N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine (CID 135193102) is N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine is FC1=CCC(NC2=CCCC=C2)C=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is KAXWNTNJYCMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2,4-8,12,14H,1,3,9H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine?
N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 135193102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).