1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine

C8H11F2NO2 — CID 86739506

IUPAC1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1(OCF)C=CC(OCF)=CC1
InChIInChI=1S/C8H11F2NO2/c9-5-12-7-1-3-8(11,4-2-7)13-6-10/h1-3H,4-6,11H2
InChIKeyUQTFGNLFYHXFMA-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.37
Rot. Bonds4

About 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine

1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 86739506) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID86739506
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1(OCF)C=CC(OCF)=CC1
InChIInChI=1S/C8H11F2NO2/c9-5-12-7-1-3-8(11,4-2-7)13-6-10/h1-3H,4-6,11H2
InChIKeyUQTFGNLFYHXFMA-UHFFFAOYSA-N
XLogP1.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 86739506) is 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine is NC1(OCF)C=CC(OCF)=CC1.
What is the InChIKey of 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is UQTFGNLFYHXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-5-12-7-1-3-8(11,4-2-7)13-6-10/h1-3H,4-6,11H2.
What are the key properties of 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine?
1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 191.18 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 86739506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).