5-fluorocyclohexa-1,3-dien-1-amine

C6H8FN — CID 70328409

IUPAC5-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(F)C1
InChIInChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-3,5H,4,8H2
InChIKeyHJXOUTOGJSHJBY-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.13
Rot. Bonds

About 5-fluorocyclohexa-1,3-dien-1-amine

5-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 70328409) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-fluorocyclohexa-1,3-dien-1-amine
PubChem CID70328409
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name5-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(F)C1
InChIInChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-3,5H,4,8H2
InChIKeyHJXOUTOGJSHJBY-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-fluorocyclohexa-1,3-dien-1-amine (CID 70328409) is 5-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-fluorocyclohexa-1,3-dien-1-amine is NC1=CC=CC(F)C1.
What is the InChIKey of 5-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is HJXOUTOGJSHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-3,5H,4,8H2.
What are the key properties of 5-fluorocyclohexa-1,3-dien-1-amine?
5-fluorocyclohexa-1,3-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 5-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70328409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).