5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol

C8H10FNO3 — CID 117280609

IUPAC5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
SMILESNOCCc1cc(O)c(O)c(F)c1
InChIInChI=1S/C8H10FNO3/c9-6-3-5(1-2-13-10)4-7(11)8(6)12/h3-4,11-12H,1-2,10H2
InChIKeySIUAOOPAVBGQFT-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.67
Rot. Bonds3

About 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol

5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol (PubChem CID 117280609) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
PubChem CID117280609
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
SMILESNOCCc1cc(O)c(O)c(F)c1
InChIInChI=1S/C8H10FNO3/c9-6-3-5(1-2-13-10)4-7(11)8(6)12/h3-4,11-12H,1-2,10H2
InChIKeySIUAOOPAVBGQFT-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminooxyethyl)-3-fluoro-2-hydroxybenzoic acid
CID 117306196
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
methyl 5-(2-aminooxyethyl)-2,3-difluorobenzoate
CID 117333559
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
3-(2-aminooxyethyl)-2,4,5-trifluorophenol
CID 117295383
O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
CID 117339727
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
CID 117281688
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine
CID 117318086

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol?
The IUPAC name of 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol (CID 117280609) is 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol?
The canonical SMILES for 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol is NOCCc1cc(O)c(O)c(F)c1.
What is the InChIKey of 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol?
The InChIKey is SIUAOOPAVBGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c9-6-3-5(1-2-13-10)4-7(11)8(6)12/h3-4,11-12H,1-2,10H2.
What are the key properties of 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol?
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol has a molecular weight of 187.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 117280609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).