2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine

C8H11F2NO — CID 163427467

IUPAC2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)CC=CC=C1OC(F)F
InChIInChI=1S/C8H11F2NO/c1-8(11)5-3-2-4-6(8)12-7(9)10/h2-4,7H,5,11H2,1H3
InChIKeyANTIKMZHLZOEJA-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.79
Rot. Bonds2

About 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine

2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 163427467) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID163427467
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)CC=CC=C1OC(F)F
InChIInChI=1S/C8H11F2NO/c1-8(11)5-3-2-4-6(8)12-7(9)10/h2-4,7H,5,11H2,1H3
InChIKeyANTIKMZHLZOEJA-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine (CID 163427467) is 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine is CC1(N)CC=CC=C1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is ANTIKMZHLZOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(11)5-3-2-4-6(8)12-7(9)10/h2-4,7H,5,11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine?
2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 175.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163427467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).