3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine

C8H11F2N — CID 70567026

IUPAC3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1(F)C=CC(N)=CC1(C)F
InChIInChI=1S/C8H11F2N/c1-7(9)4-3-6(11)5-8(7,2)10/h3-5H,11H2,1-2H3
InChIKeyHTNUJJDJRHSKFY-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.86
Rot. Bonds

About 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine

3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 70567026) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID70567026
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1(F)C=CC(N)=CC1(C)F
InChIInChI=1S/C8H11F2N/c1-7(9)4-3-6(11)5-8(7,2)10/h3-5H,11H2,1-2H3
InChIKeyHTNUJJDJRHSKFY-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine (CID 70567026) is 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine is CC1(F)C=CC(N)=CC1(C)F.
What is the InChIKey of 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is HTNUJJDJRHSKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-7(9)4-3-6(11)5-8(7,2)10/h3-5H,11H2,1-2H3.
What are the key properties of 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine?
3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 159.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).