5,6-difluorocyclohexa-2,4-dien-1-amine

C6H7F2N — CID 23505194

IUPAC5,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=C(F)C1F
InChIInChI=1S/C6H7F2N/c7-4-2-1-3-5(9)6(4)8/h1-3,5-6H,9H2
InChIKeyXWNBPZXWQNGMGH-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.08
Rot. Bonds

About 5,6-difluorocyclohexa-2,4-dien-1-amine

5,6-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 23505194) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 5,6-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5,6-difluorocyclohexa-2,4-dien-1-amine
PubChem CID23505194
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name5,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=C(F)C1F
InChIInChI=1S/C6H7F2N/c7-4-2-1-3-5(9)6(4)8/h1-3,5-6H,9H2
InChIKeyXWNBPZXWQNGMGH-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 5,6-difluorocyclohexa-2,4-dien-1-amine (CID 23505194) is 5,6-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5,6-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5,6-difluorocyclohexa-2,4-dien-1-amine is NC1C=CC=C(F)C1F.
What is the InChIKey of 5,6-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is XWNBPZXWQNGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-4-2-1-3-5(9)6(4)8/h1-3,5-6H,9H2.
What are the key properties of 5,6-difluorocyclohexa-2,4-dien-1-amine?
5,6-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 131.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23505194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).