5-(1,2-diaminoethyl)-2-fluorophenol

C8H11FN2O — CID 55283589

IUPAC5-(1,2-diaminoethyl)-2-fluorophenol
SMILESNCC(N)c1ccc(F)c(O)c1
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5(3-8(6)12)7(11)4-10/h1-3,7,12H,4,10-11H2
InChIKeyQLPDCVPPYQJPJK-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.49
Rot. Bonds2

About 5-(1,2-diaminoethyl)-2-fluorophenol

5-(1,2-diaminoethyl)-2-fluorophenol (PubChem CID 55283589) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-(1,2-diaminoethyl)-2-fluorophenol.

Molecular Properties

Compound Name5-(1,2-diaminoethyl)-2-fluorophenol
PubChem CID55283589
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-(1,2-diaminoethyl)-2-fluorophenol
SMILESNCC(N)c1ccc(F)c(O)c1
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5(3-8(6)12)7(11)4-10/h1-3,7,12H,4,10-11H2
InChIKeyQLPDCVPPYQJPJK-UHFFFAOYSA-N
XLogP0.49
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
5-[(1S)-1,2-diaminoethyl]-2-fluorobenzonitrile
CID 55265325
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-diaminoethyl)-2-fluorophenol?
The IUPAC name of 5-(1,2-diaminoethyl)-2-fluorophenol (CID 55283589) is 5-(1,2-diaminoethyl)-2-fluorophenol.
What is the SMILES notation for 5-(1,2-diaminoethyl)-2-fluorophenol?
The canonical SMILES for 5-(1,2-diaminoethyl)-2-fluorophenol is NCC(N)c1ccc(F)c(O)c1.
What is the InChIKey of 5-(1,2-diaminoethyl)-2-fluorophenol?
The InChIKey is QLPDCVPPYQJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-6-2-1-5(3-8(6)12)7(11)4-10/h1-3,7,12H,4,10-11H2.
What are the key properties of 5-(1,2-diaminoethyl)-2-fluorophenol?
5-(1,2-diaminoethyl)-2-fluorophenol has a molecular weight of 170.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-diaminoethyl)-2-fluorophenol is sourced from PubChem (CID 55283589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).