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

C8H11F2NO — CID 86660262

IUPAC1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC=CCC1(N)OC(F)F
InChIInChI=1S/C8H11F2NO/c1-6-4-2-3-5-8(6,11)12-7(9)10/h2-4,7H,5,11H2,1H3
InChIKeyVQZXYAPPAVPBQT-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.79
Rot. Bonds2

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

1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine (PubChem CID 86660262) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine
PubChem CID86660262
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC=CCC1(N)OC(F)F
InChIInChI=1S/C8H11F2NO/c1-6-4-2-3-5-8(6,11)12-7(9)10/h2-4,7H,5,11H2,1H3
InChIKeyVQZXYAPPAVPBQT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine (CID 86660262) is 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine is CC1=CC=CCC1(N)OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is VQZXYAPPAVPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-6-4-2-3-5-8(6,11)12-7(9)10/h2-4,7H,5,11H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine?
1-(difluoromethoxy)-2-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 1-(difluoromethoxy)-2-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 86660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).