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

C10H13F2NO2 — CID 63599718

IUPAC4-(4-amino-2,5-difluorophenoxy)butan-1-ol
SMILESNc1cc(F)c(OCCCCO)cc1F
InChIInChI=1S/C10H13F2NO2/c11-7-6-10(8(12)5-9(7)13)15-4-2-1-3-14/h5-6,14H,1-4,13H2
InChIKeyTUPZTOXYIYLSPY-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.70
Rot. Bonds5

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

4-(4-amino-2,5-difluorophenoxy)butan-1-ol (PubChem CID 63599718) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 4-(4-amino-2,5-difluorophenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(4-amino-2,5-difluorophenoxy)butan-1-ol
PubChem CID63599718
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name4-(4-amino-2,5-difluorophenoxy)butan-1-ol
SMILESNc1cc(F)c(OCCCCO)cc1F
InChIInChI=1S/C10H13F2NO2/c11-7-6-10(8(12)5-9(7)13)15-4-2-1-3-14/h5-6,14H,1-4,13H2
InChIKeyTUPZTOXYIYLSPY-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.70
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'}

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Related Compounds

5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
6-hydroxyhexyl 4-amino-2,5-difluorobenzoate
CID 107706260
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-(2-tert-butylsulfanylethoxy)-2,5-difluoroaniline
CID 114271242
2-(4-amino-2,5-difluorophenoxy)acetonitrile
CID 63600040
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-difluorophenoxy)butan-1-ol?
The IUPAC name of 4-(4-amino-2,5-difluorophenoxy)butan-1-ol (CID 63599718) is 4-(4-amino-2,5-difluorophenoxy)butan-1-ol.
What is the SMILES notation for 4-(4-amino-2,5-difluorophenoxy)butan-1-ol?
The canonical SMILES for 4-(4-amino-2,5-difluorophenoxy)butan-1-ol is Nc1cc(F)c(OCCCCO)cc1F.
What is the InChIKey of 4-(4-amino-2,5-difluorophenoxy)butan-1-ol?
The InChIKey is TUPZTOXYIYLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-7-6-10(8(12)5-9(7)13)15-4-2-1-3-14/h5-6,14H,1-4,13H2.
What are the key properties of 4-(4-amino-2,5-difluorophenoxy)butan-1-ol?
4-(4-amino-2,5-difluorophenoxy)butan-1-ol has a molecular weight of 217.21 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-difluorophenoxy)butan-1-ol is sourced from PubChem (CID 63599718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).