5-fluorocyclohepta-1,4,6-trien-1-amine

C7H8FN — CID 126660354

IUPAC5-fluorocyclohepta-1,4,6-trien-1-amine
SMILESNC1=CCC=C(F)C=C1
InChIInChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h2-5H,1,9H2
InChIKeyQPQVVDRMCAYNMJ-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.64
Rot. Bonds

About 5-fluorocyclohepta-1,4,6-trien-1-amine

5-fluorocyclohepta-1,4,6-trien-1-amine (PubChem CID 126660354) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-fluorocyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-fluorocyclohepta-1,4,6-trien-1-amine
PubChem CID126660354
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name5-fluorocyclohepta-1,4,6-trien-1-amine
SMILESNC1=CCC=C(F)C=C1
InChIInChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h2-5H,1,9H2
InChIKeyQPQVVDRMCAYNMJ-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-fluorocyclohepta-1,4,6-trien-1-amine (CID 126660354) is 5-fluorocyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-fluorocyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-fluorocyclohepta-1,4,6-trien-1-amine is NC1=CCC=C(F)C=C1.
What is the InChIKey of 5-fluorocyclohepta-1,4,6-trien-1-amine?
The InChIKey is QPQVVDRMCAYNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c8-6-2-1-3-7(9)5-4-6/h2-5H,1,9H2.
What are the key properties of 5-fluorocyclohepta-1,4,6-trien-1-amine?
5-fluorocyclohepta-1,4,6-trien-1-amine has a molecular weight of 125.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 126660354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).