5-(2-fluoroethoxymethyl)benzene-1,3-diamine

C9H13FN2O — CID 20689646

IUPAC5-(2-fluoroethoxymethyl)benzene-1,3-diamine
SMILESNc1cc(N)cc(COCCF)c1
InChIInChI=1S/C9H13FN2O/c10-1-2-13-6-7-3-8(11)5-9(12)4-7/h3-5H,1-2,6,11-12H2
InChIKeyGACJXXFWQPUESC-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.34
Rot. Bonds4

About 5-(2-fluoroethoxymethyl)benzene-1,3-diamine

5-(2-fluoroethoxymethyl)benzene-1,3-diamine (PubChem CID 20689646) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-(2-fluoroethoxymethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(2-fluoroethoxymethyl)benzene-1,3-diamine
PubChem CID20689646
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-(2-fluoroethoxymethyl)benzene-1,3-diamine
SMILESNc1cc(N)cc(COCCF)c1
InChIInChI=1S/C9H13FN2O/c10-1-2-13-6-7-3-8(11)5-9(12)4-7/h3-5H,1-2,6,11-12H2
InChIKeyGACJXXFWQPUESC-UHFFFAOYSA-N
XLogP1.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxymethyl)benzene-1,3-diamine?
The IUPAC name of 5-(2-fluoroethoxymethyl)benzene-1,3-diamine (CID 20689646) is 5-(2-fluoroethoxymethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-(2-fluoroethoxymethyl)benzene-1,3-diamine?
The canonical SMILES for 5-(2-fluoroethoxymethyl)benzene-1,3-diamine is Nc1cc(N)cc(COCCF)c1.
What is the InChIKey of 5-(2-fluoroethoxymethyl)benzene-1,3-diamine?
The InChIKey is GACJXXFWQPUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c10-1-2-13-6-7-3-8(11)5-9(12)4-7/h3-5H,1-2,6,11-12H2.
What are the key properties of 5-(2-fluoroethoxymethyl)benzene-1,3-diamine?
5-(2-fluoroethoxymethyl)benzene-1,3-diamine has a molecular weight of 184.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxymethyl)benzene-1,3-diamine is sourced from PubChem (CID 20689646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).