6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine

C8H13FN2 — CID 66866424

IUPAC6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine
SMILESCCC1(F)C=CC=C(N)C1N
InChIInChI=1S/C8H13FN2/c1-2-8(9)5-3-4-6(10)7(8)11/h3-5,7H,2,10-11H2,1H3
InChIKeySATAWLSTBXICNG-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.84
Rot. Bonds1

About 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine

6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine (PubChem CID 66866424) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine
PubChem CID66866424
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine
SMILESCCC1(F)C=CC=C(N)C1N
InChIInChI=1S/C8H13FN2/c1-2-8(9)5-3-4-6(10)7(8)11/h3-5,7H,2,10-11H2,1H3
InChIKeySATAWLSTBXICNG-UHFFFAOYSA-N
XLogP0.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-6-fluorocyclohexa-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

Related Compounds

1,2-Diaminophenylethane
CID 67250873
3-Tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 66629992
3-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 67104903
5,6-Diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine
CID 68772718
2,3-Dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 69318590
4,6-Difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine
CID 89106381
3-Butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030738
2,3-Diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030982
4-Fluoro-1-propylcyclohexa-3,5-diene-1,2-diamine
CID 121493880
6-Fluoro-6-propan-2-ylcyclohexa-2,4-diene-1,2-diamine
CID 142783052
1-Ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
CID 142797214
1-Ethyl-5-fluorocyclohexa-3,5-diene-1,2-diamine
CID 153965341

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine (CID 66866424) is 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine is CCC1(F)C=CC=C(N)C1N.
What is the InChIKey of 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine?
The InChIKey is SATAWLSTBXICNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-2-8(9)5-3-4-6(10)7(8)11/h3-5,7H,2,10-11H2,1H3.
What are the key properties of 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine?
6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine has a molecular weight of 156.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 66866424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).