5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine

C10H18FN3 — CID 68772718

IUPAC5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine
SMILESCCC1=CC(N)C(N)=C(N)C1(F)CC
InChIInChI=1S/C10H18FN3/c1-3-6-5-7(12)8(13)9(14)10(6,11)4-2/h5,7H,3-4,12-14H2,1-2H3
InChIKeyWNWPTOQUEWRXDA-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.91
Rot. Bonds2

About 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine

5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine (PubChem CID 68772718) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine.

Molecular Properties

Compound Name5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine
PubChem CID68772718
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine
SMILESCCC1=CC(N)C(N)=C(N)C1(F)CC
InChIInChI=1S/C10H18FN3/c1-3-6-5-7(12)8(13)9(14)10(6,11)4-2/h5,7H,3-4,12-14H2,1-2H3
InChIKeyWNWPTOQUEWRXDA-UHFFFAOYSA-N
XLogP0.91
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine?
The IUPAC name of 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine (CID 68772718) is 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine.
What is the SMILES notation for 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine?
The canonical SMILES for 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine is CCC1=CC(N)C(N)=C(N)C1(F)CC.
What is the InChIKey of 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine?
The InChIKey is WNWPTOQUEWRXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-6-5-7(12)8(13)9(14)10(6,11)4-2/h5,7H,3-4,12-14H2,1-2H3.
What are the key properties of 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine?
5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine has a molecular weight of 199.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-6-fluorocyclohexa-1,4-diene-1,2,3-triamine is sourced from PubChem (CID 68772718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).