6-[4-(difluoromethoxy)anilino]hexan-1-ol

C13H19F2NO2 — CID 113264757

IUPAC6-[4-(difluoromethoxy)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c14-13(15)18-12-7-5-11(6-8-12)16-9-3-1-2-4-10-17/h5-8,13,16-17H,1-4,9-10H2
InChIKeyKOAIWSMXGPQUSS-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.25
Rot. Bonds9

About 6-[4-(difluoromethoxy)anilino]hexan-1-ol

6-[4-(difluoromethoxy)anilino]hexan-1-ol (PubChem CID 113264757) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)anilino]hexan-1-ol
PubChem CID113264757
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name6-[4-(difluoromethoxy)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO2/c14-13(15)18-12-7-5-11(6-8-12)16-9-3-1-2-4-10-17/h5-8,13,16-17H,1-4,9-10H2
InChIKeyKOAIWSMXGPQUSS-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(difluoromethoxy)aniline
CID 28623906
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
5-(4-bromoanilino)pentan-1-ol
CID 62227139
10-anilinodecan-1-ol
CID 10955954
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
6-(4-propylanilino)hexan-1-ol
CID 103868001

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)anilino]hexan-1-ol?
The IUPAC name of 6-[4-(difluoromethoxy)anilino]hexan-1-ol (CID 113264757) is 6-[4-(difluoromethoxy)anilino]hexan-1-ol.
What is the SMILES notation for 6-[4-(difluoromethoxy)anilino]hexan-1-ol?
The canonical SMILES for 6-[4-(difluoromethoxy)anilino]hexan-1-ol is OCCCCCCNc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)anilino]hexan-1-ol?
The InChIKey is KOAIWSMXGPQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-13(15)18-12-7-5-11(6-8-12)16-9-3-1-2-4-10-17/h5-8,13,16-17H,1-4,9-10H2.
What are the key properties of 6-[4-(difluoromethoxy)anilino]hexan-1-ol?
6-[4-(difluoromethoxy)anilino]hexan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)anilino]hexan-1-ol is sourced from PubChem (CID 113264757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).