6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine

C8H12FN — CID 67374601

IUPAC6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
SMILESCCC1C=CC=CC1(N)F
InChIInChI=1S/C8H12FN/c1-2-7-5-3-4-6-8(7,9)10/h3-7H,2,10H2,1H3
InChIKeyHZPJAKMISDWOPT-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds1

About 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine

6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 67374601) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
PubChem CID67374601
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
SMILESCCC1C=CC=CC1(N)F
InChIInChI=1S/C8H12FN/c1-2-7-5-3-4-6-8(7,9)10/h3-7H,2,10H2,1H3
InChIKeyHZPJAKMISDWOPT-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine (CID 67374601) is 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine is CCC1C=CC=CC1(N)F.
What is the InChIKey of 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is HZPJAKMISDWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-7-5-3-4-6-8(7,9)10/h3-7H,2,10H2,1H3.
What are the key properties of 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine?
6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67374601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).