methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate

C10H10ClFO3 — CID 170699894

IUPACmethyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate
SMILESCOCc1cc(Cl)cc(F)c1C(=O)OC
InChIInChI=1S/C10H10ClFO3/c1-14-5-6-3-7(11)4-8(12)9(6)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyHJRYRUGXVHHVJC-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.41
Rot. Bonds3

About methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate

methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate (PubChem CID 170699894) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate
PubChem CID170699894
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Namemethyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate
SMILESCOCc1cc(Cl)cc(F)c1C(=O)OC
InChIInChI=1S/C10H10ClFO3/c1-14-5-6-3-7(11)4-8(12)9(6)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyHJRYRUGXVHHVJC-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,3,4-trichloro-6-fluorobenzoate
CID 166638354
3-amino-1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]propan-1-one
CID 117366578
CID 177341321
CID 177341321
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
methyl 4-chloro-2-fluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 90008210
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 4-(2-chloro-3-fluorophenyl)-3-(methoxymethyl)benzoate
CID 66678433
ethyl 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117439111
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate?
The IUPAC name of methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate (CID 170699894) is methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate.
What is the SMILES notation for methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate?
The canonical SMILES for methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate is COCc1cc(Cl)cc(F)c1C(=O)OC.
What is the InChIKey of methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate?
The InChIKey is HJRYRUGXVHHVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-14-5-6-3-7(11)4-8(12)9(6)10(13)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate?
methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate has a molecular weight of 232.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate is sourced from PubChem (CID 170699894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).