5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine

C7H10F2N2 — CID 68636825

IUPAC5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1C(N)=C(N)C=CC1(F)F
InChIInChI=1S/C7H10F2N2/c1-4-6(11)5(10)2-3-7(4,8)9/h2-4H,10-11H2,1H3
InChIKeyHGQGLXPNASSRMU-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.96
Rot. Bonds

About 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine

5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 68636825) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine
PubChem CID68636825
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1C(N)=C(N)C=CC1(F)F
InChIInChI=1S/C7H10F2N2/c1-4-6(11)5(10)2-3-7(4,8)9/h2-4H,10-11H2,1H3
InChIKeyHGQGLXPNASSRMU-UHFFFAOYSA-N
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine (CID 68636825) is 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine is CC1C(N)=C(N)C=CC1(F)F.
What is the InChIKey of 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is HGQGLXPNASSRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-4-6(11)5(10)2-3-7(4,8)9/h2-4H,10-11H2,1H3.
What are the key properties of 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine?
5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 160.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-methylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 68636825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).