1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine

C8H13FN2 — CID 142797214

IUPAC1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCCC1(N)C=CC(F)=CC1N
InChIInChI=1S/C8H13FN2/c1-2-8(11)4-3-6(9)5-7(8)10/h3-5,7H,2,10-11H2,1H3
InChIKeyIYNBLONZEXFYHD-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.84
Rot. Bonds1

About 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine

1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine (PubChem CID 142797214) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
PubChem CID142797214
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCCC1(N)C=CC(F)=CC1N
InChIInChI=1S/C8H13FN2/c1-2-8(11)4-3-6(9)5-7(8)10/h3-5,7H,2,10-11H2,1H3
InChIKeyIYNBLONZEXFYHD-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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine (CID 142797214) is 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine is CCC1(N)C=CC(F)=CC1N.
What is the InChIKey of 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine?
The InChIKey is IYNBLONZEXFYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-2-8(11)4-3-6(9)5-7(8)10/h3-5,7H,2,10-11H2,1H3.
What are the key properties of 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine?
1-ethyl-4-fluorocyclohexa-3,5-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 1-ethyl-4-fluorocyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 142797214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).