methyl 2-(3,5-difluorophenyl)-2-fluoroacetate

C9H7F3O2 — CID 22312713

IUPACmethyl 2-(3,5-difluorophenyl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1cc(F)cc(F)c1
InChIInChI=1S/C9H7F3O2/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3
InChIKeyREBTXEICJQZVSO-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.15
Rot. Bonds2

About methyl 2-(3,5-difluorophenyl)-2-fluoroacetate

methyl 2-(3,5-difluorophenyl)-2-fluoroacetate (PubChem CID 22312713) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is methyl 2-(3,5-difluorophenyl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(3,5-difluorophenyl)-2-fluoroacetate
PubChem CID22312713
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Namemethyl 2-(3,5-difluorophenyl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1cc(F)cc(F)c1
InChIInChI=1S/C9H7F3O2/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3
InChIKeyREBTXEICJQZVSO-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-bromo-2-(3,5-difluorophenyl)acetate
CID 86589535
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
CID 106534445
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
CID 105426445
methyl 2-(2-azidoethylamino)-2-(3,5-difluorophenyl)acetate
CID 106528993
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-difluorophenyl)-2-fluoroacetate?
The IUPAC name of methyl 2-(3,5-difluorophenyl)-2-fluoroacetate (CID 22312713) is methyl 2-(3,5-difluorophenyl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(3,5-difluorophenyl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(3,5-difluorophenyl)-2-fluoroacetate is COC(=O)C(F)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 2-(3,5-difluorophenyl)-2-fluoroacetate?
The InChIKey is REBTXEICJQZVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3.
What are the key properties of methyl 2-(3,5-difluorophenyl)-2-fluoroacetate?
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate has a molecular weight of 204.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-difluorophenyl)-2-fluoroacetate is sourced from PubChem (CID 22312713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).