5-chloro-4-fluoro-2-pentan-2-yloxyaniline

C11H15ClFNO — CID 102980349

IUPAC5-chloro-4-fluoro-2-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H15ClFNO/c1-3-4-7(2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeySUTMRWTXTMCDNC-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.63
Rot. Bonds4

About 5-chloro-4-fluoro-2-pentan-2-yloxyaniline

5-chloro-4-fluoro-2-pentan-2-yloxyaniline (PubChem CID 102980349) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-pentan-2-yloxyaniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-pentan-2-yloxyaniline
PubChem CID102980349
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-fluoro-2-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H15ClFNO/c1-3-4-7(2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeySUTMRWTXTMCDNC-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-pentan-2-yloxyaniline?
The IUPAC name of 5-chloro-4-fluoro-2-pentan-2-yloxyaniline (CID 102980349) is 5-chloro-4-fluoro-2-pentan-2-yloxyaniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-pentan-2-yloxyaniline?
The canonical SMILES for 5-chloro-4-fluoro-2-pentan-2-yloxyaniline is CCCC(C)Oc1cc(F)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-fluoro-2-pentan-2-yloxyaniline?
The InChIKey is SUTMRWTXTMCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-3-4-7(2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 5-chloro-4-fluoro-2-pentan-2-yloxyaniline?
5-chloro-4-fluoro-2-pentan-2-yloxyaniline has a molecular weight of 231.70 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-pentan-2-yloxyaniline is sourced from PubChem (CID 102980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).