3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine

C7H9F2N — CID 69362924

IUPAC3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(F)C=CC(F)=CC1N
InChIInChI=1S/C7H9F2N/c1-7(9)3-2-5(8)4-6(7)10/h2-4,6H,10H2,1H3
InChIKeyQDYQFAMSRIDZHX-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.47
Rot. Bonds

About 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine

3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 69362924) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID69362924
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(F)C=CC(F)=CC1N
InChIInChI=1S/C7H9F2N/c1-7(9)3-2-5(8)4-6(7)10/h2-4,6H,10H2,1H3
InChIKeyQDYQFAMSRIDZHX-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine (CID 69362924) is 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine is CC1(F)C=CC(F)=CC1N.
What is the InChIKey of 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is QDYQFAMSRIDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-7(9)3-2-5(8)4-6(7)10/h2-4,6H,10H2,1H3.
What are the key properties of 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69362924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).