4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine

C7H10F2N2 — CID 89106381

IUPAC4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine
SMILESCC1(F)C=C(F)C=C(N)C1N
InChIInChI=1S/C7H10F2N2/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,10-11H2,1H3
InChIKeyKTTQJAABRNJPSW-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.75
Rot. Bonds

About 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine

4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine (PubChem CID 89106381) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine
PubChem CID89106381
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine
SMILESCC1(F)C=C(F)C=C(N)C1N
InChIInChI=1S/C7H10F2N2/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,10-11H2,1H3
InChIKeyKTTQJAABRNJPSW-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine (CID 89106381) is 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine is CC1(F)C=C(F)C=C(N)C1N.
What is the InChIKey of 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine?
The InChIKey is KTTQJAABRNJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,10-11H2,1H3.
What are the key properties of 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine?
4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine has a molecular weight of 160.17 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-6-methylcyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 89106381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).