6-(2-chloro-5-fluoroanilino)hexanoic acid

C12H15ClFNO2 — CID 107528389

IUPAC6-(2-chloro-5-fluoroanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO2/c13-10-6-5-9(14)8-11(10)15-7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyYQUKDAXMGPZXMD-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.54
Rot. Bonds7

About 6-(2-chloro-5-fluoroanilino)hexanoic acid

6-(2-chloro-5-fluoroanilino)hexanoic acid (PubChem CID 107528389) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoroanilino)hexanoic acid.

Molecular Properties

Compound Name6-(2-chloro-5-fluoroanilino)hexanoic acid
PubChem CID107528389
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name6-(2-chloro-5-fluoroanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO2/c13-10-6-5-9(14)8-11(10)15-7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyYQUKDAXMGPZXMD-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
5-(5-fluoro-2-nitroanilino)pentanoic acid
CID 18695414
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
6-[(2-chloro-5-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 107528879
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
2-chloro-5-fluoro-N-(4-phenylbutyl)aniline
CID 107528122
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
5-(2,4,5-trifluoroanilino)pentanoic acid
CID 62815917
8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
CID 24727118
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoroanilino)hexanoic acid?
The IUPAC name of 6-(2-chloro-5-fluoroanilino)hexanoic acid (CID 107528389) is 6-(2-chloro-5-fluoroanilino)hexanoic acid.
What is the SMILES notation for 6-(2-chloro-5-fluoroanilino)hexanoic acid?
The canonical SMILES for 6-(2-chloro-5-fluoroanilino)hexanoic acid is O=C(O)CCCCCNc1cc(F)ccc1Cl.
What is the InChIKey of 6-(2-chloro-5-fluoroanilino)hexanoic acid?
The InChIKey is YQUKDAXMGPZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-10-6-5-9(14)8-11(10)15-7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7H2,(H,16,17).
What are the key properties of 6-(2-chloro-5-fluoroanilino)hexanoic acid?
6-(2-chloro-5-fluoroanilino)hexanoic acid has a molecular weight of 259.71 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoroanilino)hexanoic acid is sourced from PubChem (CID 107528389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).