(5-fluoro-2-methylphenyl) carbonochloridate

C8H6ClFO2 — CID 102989757

IUPAC(5-fluoro-2-methylphenyl) carbonochloridate
SMILESCc1ccc(F)cc1OC(=O)Cl
InChIInChI=1S/C8H6ClFO2/c1-5-2-3-6(10)4-7(5)12-8(9)11/h2-4H,1H3
InChIKeyISAGYWPJNXYLOS-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.87
Rot. Bonds1

About (5-fluoro-2-methylphenyl) carbonochloridate

(5-fluoro-2-methylphenyl) carbonochloridate (PubChem CID 102989757) has the molecular formula C8H6ClFO2 and a molecular weight of 188.58 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl) carbonochloridate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl) carbonochloridate
PubChem CID102989757
Molecular FormulaC8H6ClFO2
Molecular Weight188.58 g/mol
Exact Mass188.00
IUPAC Name(5-fluoro-2-methylphenyl) carbonochloridate
SMILESCc1ccc(F)cc1OC(=O)Cl
InChIInChI=1S/C8H6ClFO2/c1-5-2-3-6(10)4-7(5)12-8(9)11/h2-4H,1H3
InChIKeyISAGYWPJNXYLOS-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
(2,5-dimethylphenyl) 4-fluorobenzoate
CID 837736
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
(5-hydroxy-2-methylphenyl) carbamate
CID 68724844
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
2-acetyloxy-4-fluorobenzoic acid
CID 15902067
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl) carbonochloridate?
The IUPAC name of (5-fluoro-2-methylphenyl) carbonochloridate (CID 102989757) is (5-fluoro-2-methylphenyl) carbonochloridate.
What is the SMILES notation for (5-fluoro-2-methylphenyl) carbonochloridate?
The canonical SMILES for (5-fluoro-2-methylphenyl) carbonochloridate is Cc1ccc(F)cc1OC(=O)Cl.
What is the InChIKey of (5-fluoro-2-methylphenyl) carbonochloridate?
The InChIKey is ISAGYWPJNXYLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c1-5-2-3-6(10)4-7(5)12-8(9)11/h2-4H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl) carbonochloridate?
(5-fluoro-2-methylphenyl) carbonochloridate has a molecular weight of 188.58 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl) carbonochloridate is sourced from PubChem (CID 102989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).