5,5-difluorocyclohexa-1,3-diene-1,2-diamine

C6H8F2N2 — CID 140991351

IUPAC5,5-difluorocyclohexa-1,3-diene-1,2-diamine
SMILESNC1=C(N)CC(F)(F)C=C1
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-4(9)5(10)3-6/h1-2H,3,9-10H2
InChIKeyWKGVYLRSDGASCB-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.71
Rot. Bonds

About 5,5-difluorocyclohexa-1,3-diene-1,2-diamine

5,5-difluorocyclohexa-1,3-diene-1,2-diamine (PubChem CID 140991351) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 5,5-difluorocyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name5,5-difluorocyclohexa-1,3-diene-1,2-diamine
PubChem CID140991351
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name5,5-difluorocyclohexa-1,3-diene-1,2-diamine
SMILESNC1=C(N)CC(F)(F)C=C1
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-4(9)5(10)3-6/h1-2H,3,9-10H2
InChIKeyWKGVYLRSDGASCB-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorocyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 5,5-difluorocyclohexa-1,3-diene-1,2-diamine (CID 140991351) is 5,5-difluorocyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 5,5-difluorocyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 5,5-difluorocyclohexa-1,3-diene-1,2-diamine is NC1=C(N)CC(F)(F)C=C1.
What is the InChIKey of 5,5-difluorocyclohexa-1,3-diene-1,2-diamine?
The InChIKey is WKGVYLRSDGASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)2-1-4(9)5(10)3-6/h1-2H,3,9-10H2.
What are the key properties of 5,5-difluorocyclohexa-1,3-diene-1,2-diamine?
5,5-difluorocyclohexa-1,3-diene-1,2-diamine has a molecular weight of 146.14 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorocyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 140991351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).