6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine

C9H10F6N2O — CID 175490050

IUPAC6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=CC1OC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c10-6(8(11,12)9(13,14)15)18-5-3-1-2-4-7(5,16)17/h1-6H,16-17H2
InChIKeyAHZSFUZUEMUNDY-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.60
Rot. Bonds3

About 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine

6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine (PubChem CID 175490050) has the molecular formula C9H10F6N2O and a molecular weight of 276.18 g/mol. Its IUPAC name is 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine
PubChem CID175490050
Molecular FormulaC9H10F6N2O
Molecular Weight276.18 g/mol
Exact Mass276.07
IUPAC Name6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=CC1OC(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F6N2O/c10-6(8(11,12)9(13,14)15)18-5-3-1-2-4-7(5,16)17/h1-6H,16-17H2
InChIKeyAHZSFUZUEMUNDY-UHFFFAOYSA-N
XLogP1.60
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-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 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine (CID 175490050) is 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine is NC1(N)C=CC=CC1OC(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine?
The InChIKey is AHZSFUZUEMUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O/c10-6(8(11,12)9(13,14)15)18-5-3-1-2-4-7(5,16)17/h1-6H,16-17H2.
What are the key properties of 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine?
6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine has a molecular weight of 276.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2,3,3,3-hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 175490050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).