6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine

C9H15FN2 — CID 142783052

IUPAC6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine
SMILESCC(C)C1(F)C=CC=C(N)C1N
InChIInChI=1S/C9H15FN2/c1-6(2)9(10)5-3-4-7(11)8(9)12/h3-6,8H,11-12H2,1-2H3
InChIKeyQWFKOSAWXCQCFO-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.09
Rot. Bonds1

About 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine

6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine (PubChem CID 142783052) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine
PubChem CID142783052
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine
SMILESCC(C)C1(F)C=CC=C(N)C1N
InChIInChI=1S/C9H15FN2/c1-6(2)9(10)5-3-4-7(11)8(9)12/h3-6,8H,11-12H2,1-2H3
InChIKeyQWFKOSAWXCQCFO-UHFFFAOYSA-N
XLogP1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-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-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine (CID 142783052) is 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine is CC(C)C1(F)C=CC=C(N)C1N.
What is the InChIKey of 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine?
The InChIKey is QWFKOSAWXCQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6(2)9(10)5-3-4-7(11)8(9)12/h3-6,8H,11-12H2,1-2H3.
What are the key properties of 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine?
6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine has a molecular weight of 170.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 142783052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).