(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol

C8H7F2NO2 — CID 18712701

IUPAC(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol
SMILESOC/C(=N\O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2/c9-6-2-1-5(3-7(6)10)8(4-12)11-13/h1-3,12-13H,4H2/b11-8+
InChIKeyLNZSBWVRHYDBED-DHZHZOJOSA-N
MW187.14 g/mol
LogP1.14
Rot. Bonds2

About (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol

(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol (PubChem CID 18712701) has the molecular formula C8H7F2NO2 and a molecular weight of 187.14 g/mol. Its IUPAC name is (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol.

Molecular Properties

Compound Name(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol
PubChem CID18712701
Molecular FormulaC8H7F2NO2
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol
SMILESOC/C(=N\O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2/c9-6-2-1-5(3-7(6)10)8(4-12)11-13/h1-3,12-13H,4H2/b11-8+
InChIKeyLNZSBWVRHYDBED-DHZHZOJOSA-N
XLogP1.14
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;2-hydroxyimino-2-phenylethanol
CID 88811267
4-(3,4-difluorophenyl)-2-imino-4-oxobutanoic acid
CID 91931208
(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
CID 170430543
(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 82916047
4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 85069221
(4E)-4-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 135422931
1-(3,4-difluorophenyl)-4-hydroxybutan-1-one
CID 82112355
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 19608702
acetic acid;2-hydroxyimino-2-phenylethanol
CID 57373390
2-(3,4-difluorophenyl)-2-oxoacetic acid
CID 23092017
3,4-difluorobenzenecarboperoxoic acid
CID 171800921

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol?
The IUPAC name of (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol (CID 18712701) is (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol.
What is the SMILES notation for (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol?
The canonical SMILES for (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol is OC/C(=N\O)c1ccc(F)c(F)c1.
What is the InChIKey of (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol?
The InChIKey is LNZSBWVRHYDBED-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-6-2-1-5(3-7(6)10)8(4-12)11-13/h1-3,12-13H,4H2/b11-8+.
What are the key properties of (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol?
(2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol has a molecular weight of 187.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-difluorophenyl)-2-hydroxyiminoethanol is sourced from PubChem (CID 18712701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).