4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride

C8H7ClFNO — CID 130174120

IUPAC4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
SMILESCc1cc(F)ccc1C(Cl)=NO
InChIInChI=1S/C8H7ClFNO/c1-5-4-6(10)2-3-7(5)8(9)11-12/h2-4,12H,1H3
InChIKeyNQCVBRJVNJQIPK-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.51
Rot. Bonds1

About 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride

4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride (PubChem CID 130174120) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
PubChem CID130174120
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
SMILESCc1cc(F)ccc1C(Cl)=NO
InChIInChI=1S/C8H7ClFNO/c1-5-4-6(10)2-3-7(5)8(9)11-12/h2-4,12H,1H3
InChIKeyNQCVBRJVNJQIPK-UHFFFAOYSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
4-fluoro-2-methylbenzoyl isocyanate
CID 103512922
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
CID 169270080
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The IUPAC name of 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride (CID 130174120) is 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The canonical SMILES for 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride is Cc1cc(F)ccc1C(Cl)=NO.
What is the InChIKey of 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
The InChIKey is NQCVBRJVNJQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-5-4-6(10)2-3-7(5)8(9)11-12/h2-4,12H,1H3.
What are the key properties of 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride?
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride has a molecular weight of 187.60 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 130174120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).