2,6-difluorocyclohexa-1,3,4-trien-1-amine

C6H5F2N — CID 88864147

IUPAC2,6-difluorocyclohexa-1,3,4-trien-1-amine
SMILESNC1=C(F)C=C=CC1F
InChIInChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h2-4H,9H2
InChIKeyGBWGAKDBBSXJSA-UHFFFAOYSA-N
MW129.11 g/mol
LogP1.19
Rot. Bonds

About 2,6-difluorocyclohexa-1,3,4-trien-1-amine

2,6-difluorocyclohexa-1,3,4-trien-1-amine (PubChem CID 88864147) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 2,6-difluorocyclohexa-1,3,4-trien-1-amine.

Molecular Properties

Compound Name2,6-difluorocyclohexa-1,3,4-trien-1-amine
PubChem CID88864147
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name2,6-difluorocyclohexa-1,3,4-trien-1-amine
SMILESNC1=C(F)C=C=CC1F
InChIInChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h2-4H,9H2
InChIKeyGBWGAKDBBSXJSA-UHFFFAOYSA-N
XLogP1.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluorocyclohexa-1,3,4-trien-1-amine?
The IUPAC name of 2,6-difluorocyclohexa-1,3,4-trien-1-amine (CID 88864147) is 2,6-difluorocyclohexa-1,3,4-trien-1-amine.
What is the SMILES notation for 2,6-difluorocyclohexa-1,3,4-trien-1-amine?
The canonical SMILES for 2,6-difluorocyclohexa-1,3,4-trien-1-amine is NC1=C(F)C=C=CC1F.
What is the InChIKey of 2,6-difluorocyclohexa-1,3,4-trien-1-amine?
The InChIKey is GBWGAKDBBSXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h2-4H,9H2.
What are the key properties of 2,6-difluorocyclohexa-1,3,4-trien-1-amine?
2,6-difluorocyclohexa-1,3,4-trien-1-amine has a molecular weight of 129.11 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorocyclohexa-1,3,4-trien-1-amine is sourced from PubChem (CID 88864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).