ethyl 3-fluoro-4-hydroxybenzenecarboximidate

C9H10FNO2 — CID 136810245

IUPACethyl 3-fluoro-4-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-2-13-9(11)6-3-4-8(12)7(10)5-6/h3-5,11-12H,2H2,1H3/b11-9-
InChIKeySORZZGPOOZVMFH-LUAWRHEFSA-N
MW183.18 g/mol
LogP1.89
Rot. Bonds2

About ethyl 3-fluoro-4-hydroxybenzenecarboximidate

ethyl 3-fluoro-4-hydroxybenzenecarboximidate (PubChem CID 136810245) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is ethyl 3-fluoro-4-hydroxybenzenecarboximidate.

Molecular Properties

Compound Nameethyl 3-fluoro-4-hydroxybenzenecarboximidate
PubChem CID136810245
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Nameethyl 3-fluoro-4-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-2-13-9(11)6-3-4-8(12)7(10)5-6/h3-5,11-12H,2H2,1H3/b11-9-
InChIKeySORZZGPOOZVMFH-LUAWRHEFSA-N
XLogP1.89
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-chloro-4-fluorobenzenecarboximidate chloride
CID 45108649
ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199
ethane;ethyl 3,5-dimethylbenzenecarboximidate
CID 145326468
ethyl 4-(trifluoromethylsulfanyl)benzenecarboximidate
CID 60985373
ethyl 3-(dihydroxymethyl)benzenecarboximidate;hydrochloride
CID 22996228
ethyl 4-methyl-3-nitrosobenzenecarboximidate
CID 88896506
ethyl 4-[6-[4-(C-ethoxycarbonimidoyl)phenyl]-2-methylpyrimidin-4-yl]benzenecarboximidate
CID 10786513
(3,4-difluorobenzenecarboximidoyl)oxymethanesulfonic acid
CID 174510891
ethyl 2,4-dihydroxybenzenecarboximidate;hydrochloride
CID 139034333
ethyl 1H-pyrrole-3-carboximidate
CID 136970008
[3-(C-ethoxycarbonimidoyl)phenyl]boronic acid
CID 55266619
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-4-hydroxybenzenecarboximidate?
The IUPAC name of ethyl 3-fluoro-4-hydroxybenzenecarboximidate (CID 136810245) is ethyl 3-fluoro-4-hydroxybenzenecarboximidate.
What is the SMILES notation for ethyl 3-fluoro-4-hydroxybenzenecarboximidate?
The canonical SMILES for ethyl 3-fluoro-4-hydroxybenzenecarboximidate is [H]/N=C(\OCC)c1ccc(O)c(F)c1.
What is the InChIKey of ethyl 3-fluoro-4-hydroxybenzenecarboximidate?
The InChIKey is SORZZGPOOZVMFH-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-13-9(11)6-3-4-8(12)7(10)5-6/h3-5,11-12H,2H2,1H3/b11-9-.
What are the key properties of ethyl 3-fluoro-4-hydroxybenzenecarboximidate?
ethyl 3-fluoro-4-hydroxybenzenecarboximidate has a molecular weight of 183.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-4-hydroxybenzenecarboximidate is sourced from PubChem (CID 136810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).