4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine

C6H11FN4 — CID 154429068

IUPAC4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine
SMILESNC1(N)C=CC(F)=CC1(N)N
InChIInChI=1S/C6H11FN4/c7-4-1-2-5(8,9)6(10,11)3-4/h1-3H,8-11H2
InChIKeyVCBHOPYMBZKNHH-UHFFFAOYSA-N
MW158.18 g/mol
LogP-1.36
Rot. Bonds

About 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine

4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine (PubChem CID 154429068) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine.

Molecular Properties

Compound Name4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine
PubChem CID154429068
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine
SMILESNC1(N)C=CC(F)=CC1(N)N
InChIInChI=1S/C6H11FN4/c7-4-1-2-5(8,9)6(10,11)3-4/h1-3H,8-11H2
InChIKeyVCBHOPYMBZKNHH-UHFFFAOYSA-N
XLogP-1.36
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine?
The IUPAC name of 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine (CID 154429068) is 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine.
What is the SMILES notation for 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine?
The canonical SMILES for 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine is NC1(N)C=CC(F)=CC1(N)N.
What is the InChIKey of 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine?
The InChIKey is VCBHOPYMBZKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c7-4-1-2-5(8,9)6(10,11)3-4/h1-3H,8-11H2.
What are the key properties of 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine?
4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine has a molecular weight of 158.18 g/mol, XLogP of -1.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohexa-3,5-diene-1,1,2,2-tetramine is sourced from PubChem (CID 154429068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).