4-fluorocyclohexa-1,3-diene-1,3-diamine

C6H9FN2 — CID 89191402

IUPAC4-fluorocyclohexa-1,3-diene-1,3-diamine
SMILESNC1=CC(N)=C(F)CC1
InChIInChI=1S/C6H9FN2/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,8-9H2
InChIKeyVKYNWAXJZLRTFL-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.76
Rot. Bonds

About 4-fluorocyclohexa-1,3-diene-1,3-diamine

4-fluorocyclohexa-1,3-diene-1,3-diamine (PubChem CID 89191402) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-fluorocyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name4-fluorocyclohexa-1,3-diene-1,3-diamine
PubChem CID89191402
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name4-fluorocyclohexa-1,3-diene-1,3-diamine
SMILESNC1=CC(N)=C(F)CC1
InChIInChI=1S/C6H9FN2/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,8-9H2
InChIKeyVKYNWAXJZLRTFL-UHFFFAOYSA-N
XLogP0.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluorocyclohexa-1,3-diene-1,3-diamine 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 4-fluorocyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 4-fluorocyclohexa-1,3-diene-1,3-diamine (CID 89191402) is 4-fluorocyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 4-fluorocyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 4-fluorocyclohexa-1,3-diene-1,3-diamine is NC1=CC(N)=C(F)CC1.
What is the InChIKey of 4-fluorocyclohexa-1,3-diene-1,3-diamine?
The InChIKey is VKYNWAXJZLRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,8-9H2.
What are the key properties of 4-fluorocyclohexa-1,3-diene-1,3-diamine?
4-fluorocyclohexa-1,3-diene-1,3-diamine has a molecular weight of 128.15 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 89191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).