4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine

C9H14FNO2 — CID 150400267

IUPAC4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine
SMILESCOCCOC1(F)C=CC(N)=CC1
InChIInChI=1S/C9H14FNO2/c1-12-6-7-13-9(10)4-2-8(11)3-5-9/h2-4H,5-7,11H2,1H3
InChIKeyHDPZTOADMQFVMI-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.12
Rot. Bonds4

About 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine

4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 150400267) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID150400267
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine
SMILESCOCCOC1(F)C=CC(N)=CC1
InChIInChI=1S/C9H14FNO2/c1-12-6-7-13-9(10)4-2-8(11)3-5-9/h2-4H,5-7,11H2,1H3
InChIKeyHDPZTOADMQFVMI-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine (CID 150400267) is 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine is COCCOC1(F)C=CC(N)=CC1.
What is the InChIKey of 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is HDPZTOADMQFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-12-6-7-13-9(10)4-2-8(11)3-5-9/h2-4H,5-7,11H2,1H3.
What are the key properties of 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine?
4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine has a molecular weight of 187.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methoxyethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 150400267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).