4-(2-chloro-4,6-difluoroanilino)butan-1-ol

C10H12ClF2NO — CID 83081105

IUPAC4-(2-chloro-4,6-difluoroanilino)butan-1-ol
SMILESOCCCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c11-8-5-7(12)6-9(13)10(8)14-3-1-2-4-15/h5-6,14-15H,1-4H2
InChIKeyNNWJIKFDCIASRW-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.80
Rot. Bonds5

About 4-(2-chloro-4,6-difluoroanilino)butan-1-ol

4-(2-chloro-4,6-difluoroanilino)butan-1-ol (PubChem CID 83081105) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 4-(2-chloro-4,6-difluoroanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-chloro-4,6-difluoroanilino)butan-1-ol
PubChem CID83081105
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name4-(2-chloro-4,6-difluoroanilino)butan-1-ol
SMILESOCCCCNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c11-8-5-7(12)6-9(13)10(8)14-3-1-2-4-15/h5-6,14-15H,1-4H2
InChIKeyNNWJIKFDCIASRW-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.80
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

6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
3-(2-chloro-4,6-difluoroanilino)propanenitrile
CID 83081189
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
CID 107644364
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-difluoroanilino)butan-1-ol?
The IUPAC name of 4-(2-chloro-4,6-difluoroanilino)butan-1-ol (CID 83081105) is 4-(2-chloro-4,6-difluoroanilino)butan-1-ol.
What is the SMILES notation for 4-(2-chloro-4,6-difluoroanilino)butan-1-ol?
The canonical SMILES for 4-(2-chloro-4,6-difluoroanilino)butan-1-ol is OCCCCNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,6-difluoroanilino)butan-1-ol?
The InChIKey is NNWJIKFDCIASRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c11-8-5-7(12)6-9(13)10(8)14-3-1-2-4-15/h5-6,14-15H,1-4H2.
What are the key properties of 4-(2-chloro-4,6-difluoroanilino)butan-1-ol?
4-(2-chloro-4,6-difluoroanilino)butan-1-ol has a molecular weight of 235.66 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-difluoroanilino)butan-1-ol is sourced from PubChem (CID 83081105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).