6-(2-chloro-4,6-difluoroanilino)hexanoic acid

C12H14ClF2NO2 — CID 83082133

IUPAC6-(2-chloro-4,6-difluoroanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H14ClF2NO2/c13-9-6-8(14)7-10(15)12(9)16-5-3-1-2-4-11(17)18/h6-7,16H,1-5H2,(H,17,18)
InChIKeySJNXAQMQGGMSDD-UHFFFAOYSA-N
MW277.70 g/mol
LogP3.68
Rot. Bonds7

About 6-(2-chloro-4,6-difluoroanilino)hexanoic acid

6-(2-chloro-4,6-difluoroanilino)hexanoic acid (PubChem CID 83082133) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 6-(2-chloro-4,6-difluoroanilino)hexanoic acid.

Molecular Properties

Compound Name6-(2-chloro-4,6-difluoroanilino)hexanoic acid
PubChem CID83082133
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name6-(2-chloro-4,6-difluoroanilino)hexanoic acid
SMILESO=C(O)CCCCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H14ClF2NO2/c13-9-6-8(14)7-10(15)12(9)16-5-3-1-2-4-11(17)18/h6-7,16H,1-5H2,(H,17,18)
InChIKeySJNXAQMQGGMSDD-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 53.68
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-4,6-difluoroanilino)butan-1-ol
CID 83081105
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389
5-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]pentanoic acid
CID 83079136
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
4-[(2-chloro-4,6-difluorophenyl)carbamoyl-methylamino]butanoic acid
CID 83087788
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
4-(3,5-difluoroanilino)butanoic acid
CID 18072381
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-difluoroanilino)hexanoic acid?
The IUPAC name of 6-(2-chloro-4,6-difluoroanilino)hexanoic acid (CID 83082133) is 6-(2-chloro-4,6-difluoroanilino)hexanoic acid.
What is the SMILES notation for 6-(2-chloro-4,6-difluoroanilino)hexanoic acid?
The canonical SMILES for 6-(2-chloro-4,6-difluoroanilino)hexanoic acid is O=C(O)CCCCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 6-(2-chloro-4,6-difluoroanilino)hexanoic acid?
The InChIKey is SJNXAQMQGGMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c13-9-6-8(14)7-10(15)12(9)16-5-3-1-2-4-11(17)18/h6-7,16H,1-5H2,(H,17,18).
What are the key properties of 6-(2-chloro-4,6-difluoroanilino)hexanoic acid?
6-(2-chloro-4,6-difluoroanilino)hexanoic acid has a molecular weight of 277.70 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-difluoroanilino)hexanoic acid is sourced from PubChem (CID 83082133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).