5-(4-amino-2,5-difluorophenoxy)pentan-1-ol

C11H15F2NO2 — CID 63597424

IUPAC5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
SMILESNc1cc(F)c(OCCCCCO)cc1F
InChIInChI=1S/C11H15F2NO2/c12-8-7-11(9(13)6-10(8)14)16-5-3-1-2-4-15/h6-7,15H,1-5,14H2
InChIKeyOWSGKPRPZZHBKV-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.09
Rot. Bonds6

About 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol

5-(4-amino-2,5-difluorophenoxy)pentan-1-ol (PubChem CID 63597424) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
PubChem CID63597424
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
SMILESNc1cc(F)c(OCCCCCO)cc1F
InChIInChI=1S/C11H15F2NO2/c12-8-7-11(9(13)6-10(8)14)16-5-3-1-2-4-15/h6-7,15H,1-5,14H2
InChIKeyOWSGKPRPZZHBKV-UHFFFAOYSA-N
XLogP2.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
6-hydroxyhexyl 4-amino-2,5-difluorobenzoate
CID 107706260
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
4-(2-tert-butylsulfanylethoxy)-2,5-difluoroaniline
CID 114271242
10-[3,6,7,10,11-pentakis(10-hydroxydecoxy)triphenylen-2-yl]oxydecan-1-ol
CID 101376411
2-(4-amino-2,5-difluorophenoxy)acetonitrile
CID 63600040
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol?
The IUPAC name of 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol (CID 63597424) is 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol.
What is the SMILES notation for 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol?
The canonical SMILES for 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol is Nc1cc(F)c(OCCCCCO)cc1F.
What is the InChIKey of 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol?
The InChIKey is OWSGKPRPZZHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-8-7-11(9(13)6-10(8)14)16-5-3-1-2-4-15/h6-7,15H,1-5,14H2.
What are the key properties of 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol?
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol has a molecular weight of 231.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,5-difluorophenoxy)pentan-1-ol is sourced from PubChem (CID 63597424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).