4-chloro-2-fluoro-5-pentoxyaniline

C11H15ClFNO — CID 22073021

IUPAC4-chloro-2-fluoro-5-pentoxyaniline
SMILESCCCCCOc1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-3-4-5-15-11-7-10(14)9(13)6-8(11)12/h6-7H,2-5,14H2,1H3
InChIKeyAKNKKNNNYFFURX-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-2-fluoro-5-pentoxyaniline

4-chloro-2-fluoro-5-pentoxyaniline (PubChem CID 22073021) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-pentoxyaniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-pentoxyaniline
PubChem CID22073021
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-chloro-2-fluoro-5-pentoxyaniline
SMILESCCCCCOc1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-3-4-5-15-11-7-10(14)9(13)6-8(11)12/h6-7H,2-5,14H2,1H3
InChIKeyAKNKKNNNYFFURX-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-chloro-2-fluoro-5-pentoxyaniline?
The IUPAC name of 4-chloro-2-fluoro-5-pentoxyaniline (CID 22073021) is 4-chloro-2-fluoro-5-pentoxyaniline.
What is the SMILES notation for 4-chloro-2-fluoro-5-pentoxyaniline?
The canonical SMILES for 4-chloro-2-fluoro-5-pentoxyaniline is CCCCCOc1cc(N)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-pentoxyaniline?
The InChIKey is AKNKKNNNYFFURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-3-4-5-15-11-7-10(14)9(13)6-8(11)12/h6-7H,2-5,14H2,1H3.
What are the key properties of 4-chloro-2-fluoro-5-pentoxyaniline?
4-chloro-2-fluoro-5-pentoxyaniline has a molecular weight of 231.70 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-pentoxyaniline is sourced from PubChem (CID 22073021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).