3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine

C7H9F2NO — CID 166815040

IUPAC3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=CC(OC(F)F)CC=C1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2
InChIKeyPVQFBFAXKMMUJI-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.40
Rot. Bonds2

About 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine

3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 166815040) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID166815040
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=CC(OC(F)F)CC=C1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2
InChIKeyPVQFBFAXKMMUJI-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 166815040) is 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine is NC1=CC(OC(F)F)CC=C1.
What is the InChIKey of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is PVQFBFAXKMMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-2,4,6-7H,3,10H2.
What are the key properties of 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine?
3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine has a molecular weight of 161.15 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 166815040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).