4-fluoro-2-propoxyaniline

C9H12FNO — CID 16787814

IUPAC4-fluoro-2-propoxyaniline
SMILESCCCOc1cc(F)ccc1N
InChIInChI=1S/C9H12FNO/c1-2-5-12-9-6-7(10)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3
InChIKeySBZBXSHAXXTYTF-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.20
Rot. Bonds3

About 4-fluoro-2-propoxyaniline

4-fluoro-2-propoxyaniline (PubChem CID 16787814) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-fluoro-2-propoxyaniline.

Molecular Properties

Compound Name4-fluoro-2-propoxyaniline
PubChem CID16787814
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name4-fluoro-2-propoxyaniline
SMILESCCCOc1cc(F)ccc1N
InChIInChI=1S/C9H12FNO/c1-2-5-12-9-6-7(10)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3
InChIKeySBZBXSHAXXTYTF-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propoxyaniline?
The IUPAC name of 4-fluoro-2-propoxyaniline (CID 16787814) is 4-fluoro-2-propoxyaniline.
What is the SMILES notation for 4-fluoro-2-propoxyaniline?
The canonical SMILES for 4-fluoro-2-propoxyaniline is CCCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-propoxyaniline?
The InChIKey is SBZBXSHAXXTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-5-12-9-6-7(10)3-4-8(9)11/h3-4,6H,2,5,11H2,1H3.
What are the key properties of 4-fluoro-2-propoxyaniline?
4-fluoro-2-propoxyaniline has a molecular weight of 169.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propoxyaniline is sourced from PubChem (CID 16787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).