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

C6H8FN — CID 68621009

IUPAC1-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1(F)C=CC=CC1
InChIInChI=1S/C6H8FN/c7-6(8)4-2-1-3-5-6/h1-4H,5,8H2
InChIKeyRGZKDGBVKWCCRG-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.13
Rot. Bonds

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

1-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 68621009) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 1-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluorocyclohexa-2,4-dien-1-amine
PubChem CID68621009
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name1-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1(F)C=CC=CC1
InChIInChI=1S/C6H8FN/c7-6(8)4-2-1-3-5-6/h1-4H,5,8H2
InChIKeyRGZKDGBVKWCCRG-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.13
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 1-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluorocyclohexa-2,4-dien-1-amine (CID 68621009) is 1-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluorocyclohexa-2,4-dien-1-amine is NC1(F)C=CC=CC1.
What is the InChIKey of 1-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is RGZKDGBVKWCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-6(8)4-2-1-3-5-6/h1-4H,5,8H2.
What are the key properties of 1-fluorocyclohexa-2,4-dien-1-amine?
1-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).